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2023-10-27
Practical application of quantum neural network to materials informatics: prediction of the melting points of metal oxides
Quantum neural network (QNN) models have received increasing attention owing to their strong expressibility and resistance to overfitting. It is particularly useful when the size of the training data is small, making it a good fit for materials informatics (MI) problems. However, there are only a few examples of the application of QNN to multivariate regression models, and little is known about how these models are constructed. This study aims to construct a QNN model to predict the melting points of metal oxides as an example of a multivariate regression task for the MI problem. Different architectures (encoding methods and entangler arrangements) are explored to create an effective QNN model. Shallow-depth ansatzs could achieve sufficient expressibility using sufficiently entangled circuits. The "linear" entangler was adequate for providing the necessary entanglement. The expressibility of the QNN model could be further improved by increasing the circuit width. The generalization performance could also be improved, outperforming the classical NN model. No overfitting was observed in the QNN models with a well-designed encoder. These findings suggest that QNN can be a useful tool for MI.
2310.17935v1
2023-11-01
Giant anomalous Hall effect in epitaxial Mn$_{3.2}$Ge films with a cubic kagome structure
We report on the first example of epitaxial Mn$_{3 + \delta}$Ge thin films with a cubic $L1_2$ structure. The films are found to exhibit frustrated ferromagnetism with an average magnetization corresponding to 0.98$~\pm~$0.06$~\mu_B$/Mn, far larger than the parasitic ferromagnetism in hexagonal Mn$_3$Ge and the partially compensated ferrimagnetism in tetragonal Mn$_3$Ge. The Hall conductivity is the largest reported for the kagome magnets with a low temperature value of $\sigma_{xy} = 1587~$S/cm. Density functional calculations predict that a chiral antiferromagnetic structure is lower in energy than a ferromagnetic configuration in an ordered stoichiometric crystal. However, chemical disorder driven by the excess Mn in our films explains why a frustrated 120$^\circ$ spin structure is not observed. Comparisons between the magnetization and the Hall resistivity indicate that a non-coplanar spin structure contributes the Hall signal. Anisotropic magnetoresistance and planar Hall effect with hysteresis up to 14 T provides further insights into this material.
2311.00683v1
2023-11-06
Current-induced spin polarization in chiral Tellurium: a first-principles quantum transport study
Te is a naturally p-doped semiconductor with a chiral structure, where an electrical current causes the conduction electrons to become spin polarized parallel to the transport direction. In this paper, we present a comprehensive theoretical study of this effect by employing density functional theory (DFT) combined with the non-equilibrium Green's functions (NEGF) technique for quantum transport. We suggest that the spin polarization can quantitatively be estimated in terms of two complementary quantities, namely the non-equilibrium magnetic moments and the spin current density. The calculated magnetic moments are directly compared with the values from previous theoretical studies obtaining overall consistent results. On the other hand, the inspection of the spin current density provides insights of the magnetotransport properties of the material. Specifically, we predict that the resistance along a Te wire changes when an external magnetic field is applied parallel or antiparallel to the charge current direction. The computed magnetoresistance is however quite small (~ 0.025%). Finally, we show that the description of the current-induced spin polarization in terms of the spin current establishes a straightforward connection with the phenomenon called chiral-induced spin selectivity, recently observed in several nano-junctions.
2311.03219v2
2023-12-11
Superconductivity in Ternary Germanide ScPdGe and Silicide ScPdSi
The electronic properties of ScPdGe and ScPdSi, crystallizing in the hexagonal ZrNiAl and orthorhombic TiNiSi structures, respectively, are investigated. ScPdGe and ScPdSi are found to show bulk superconductivity below 0.9 and 1.7 K, respectively, based on electrical resistivity and heat capacity data measured using synthesized polycrystalline samples. First principles calculations indicate the presence of large contributions of Sc 3d and Pd 4d electrons at the Fermi energy in both materials. The electronic properties and electronic states of these materials are discussed in comparison with those of several superconductors containing scandium and a 4d transition metal element.
2312.06045v1
2024-01-12
Direction dependent switching of carrier-type enabled by Fermi surface geometry
While charge carriers can typically be designated as either electron- or hole- type, depending on the sign of the Hall coefficient, some materials defy this straightforward classification. Here we find that LaRh$_6$Ge$_4$ goes beyond this dichotomy, where the Hall resistivity is electron-like for magnetic fields along the $c$-axis but hole-like in the basal plane. Together with first-principles calculations, we show that this direction-dependent switching of the carrier type arises within a single band, where the special geometry leads to charge carriers on the same Fermi surface orbiting as electrons along some directions, but holes along others. The relationship between the Fermi surface geometry and occurrence of a Hall sign reversal is further generalized by considering tight-binding model calculations, which show that this type of Fermi surface corresponds to a more robust means of realizing this phenomenon, suggesting an important route for tailoring direction dependent properties for advanced electronic device applications.
2401.06333v1
2024-01-13
Synthesis of thin film infinite-layer nickelates by atomic hydrogen reduction: clarifying the role of the capping layer
We present an integrated procedure for the synthesis of infinite-layer nickelates using molecular-beam epitaxy with gas-phase reduction by atomic hydrogen. We first discuss challenges in the growth and characterization of perovskite NdNiO$_3$/SrTiO$_3$, arising from post growth crack formation in stoichiometric films. We then detail a procedure for fully reducing NdNiO$_3$ films to the infinite-layer phase, NdNiO$_2$, using atomic hydrogen; the resulting films display excellent structural quality, smooth surfaces, and lower residual resistivities than films reduced by other methods. We utilize the in situ nature of this technique to investigate of the role that SrTiO$_3$ capping layers play in the reduction process, illustrating their importance in preventing the formation of secondary phases at the exposed nickelate surface. A comparative bulk- and surface-sensitive study indicates formation of a polycrystalline crust on the film surface serves to limit the reduction process.
2401.07129v1
2024-02-01
A mechanism for electrostatically generated magnetoresistance in chiral systems without spin-dependent transport
Significant attention has been drawn to electronic transport in chiral materials coupled to ferromagnets in the chirality induced spin selectivity (CISS) effect. A large magnetoresistance (MR) is usually observed which is widely interpreted to originate from spin (dependent) transport. However, there are severe discrepancies between the experimental results and theoretical interpretations, most notably the apparent failure of the Onsager reciprocity relation in the linear response regime. We provide an alternative explanation for the mechanism of the two terminal MR in chiral systems coupled to a ferromagnet. For this we point out that it was observed that the electrostatic contact potential of chiral materials on a ferromagnet depends on the magnetization direction and chirality. In our explanation this causes the transport barrier to be modified by the magnetization direction, already in equilibrium, in the absence of a bias current. This strongly alters the charge transport through/over the barrier, not requiring spin transport. This provides a mechanism that allows the linear response resistance to be sensitive to the magnetization direction and also explains the failure of the Onsager reciprocity relations. We propose experimental configurations to confirm our alternative mechanism for MR.
2402.00472v1
2024-02-28
Optimizing Beer Glass Shapes to Minimize Heat Transfer During Consumption
This paper addresses the problem of determining the optimum shape for a beer glass that minimizes the heat transfer while the liquid is consumed, thereby keeping it cold for as long as possible. The proposed solution avoids the use of insulating materials. The glass is modelled as a body of revolution generated by a smooth curve S, constructed from a material with negligible thermal resistance at the revolution surface but insulated at the bottom. The ordinary differential equation describing the problem is derived from the first law of Thermodynamics applied to a control volume encompassing the liquid. This is an inverse optimization problem, aiming to find the shape of the glass (represented by curve S) that minimizes the heat transfer rate. In contrast, the direct problem aims to determine the heat transfer rate for a given geometry. The solution obtained is analytic, and the resulting expression for S is in closed form, providing a family of optimal glass shapes that can be manufactured using conventional methods.
2402.18544v1
2024-03-03
Defect-Induced Strain-Tunable Photoluminescence in AgScP$_2$S$_6$
Metal thiophosphates (MTPs) are a large family of 2D materials that exhibit large structural and chemical diversity. They also show promise for applications in energy harvesting and photodetection. Strain and defect engineering have previously been demonstrated as useful mechanisms to tune several properties of MTPs such as resistivity, magnetic state, and electronic band gap. However, the effect of these stimuli on engineering tunable light emission in MTPs remains unexplored. Here, we show experimentally that structural defects in metal thiophosphate AgScP$_2$S$_6$ are prominent in exhibiting photoluminescence, which is likely driven by the defect-state-to-conduction-band transitions and can be further tuned by temperature-induced strain gradients.
2403.01581v1
2024-03-29
Gate-tunable quantum acoustoelectric transport in graphene
Transport probes the motion of quasiparticles in response to external excitations. Apart from the well-known electric and thermoelectric transport, acoustoelectric transport induced by traveling acoustic waves has been rarely explored. Here, by adopting a hybrid nanodevices integrated with piezoelectric substrates, we establish a simple design of acoustoelectric transport with gate tunability. We fabricate dual-gated acoustoelectric devices based on BN-encapsuled graphene on LiNbO3. Longitudinal and transverse acoustoelectric voltages are generated by launching pulsed surface acoustic wave. The gate dependence of zero-field longitudinal acoustoelectric signal presents strikingly similar profiles as that of Hall resistivity, providing a valid approach for extracting carrier density without magnetic field. In magnetic fields, acoustoelectric quantum oscillations appear due to Landau quantization, which are more robust and pronounced than Shubnikov-de Haas oscillations. Our work demonstrates a feasible acoustoelectric setup with gate tunability, which can be extended to the broad scope of various Van der Waals materials.
2403.20248v1
2024-04-02
Accurate determination of thermoelectric figure of merit using ac Harman method with a four-probe configuration
The ac Harman method has been used for the direct estimation of dimensionless thermoelectric figure of merit (zT) through ac/dc resistance measurements. However, accurate zT estimation with a four-probe configuration is difficult owing to the occurrence of a thermal phase-delay in the heat flow with a low frequency current. This study reports an exact solution for zT estimation by solving the heat conduction equation. The analysis can explain the reverse heat flow, which is the main source of the error in the four-probe configuration, and the experimentally obtained behavior of the frequency dependence of zT of (Bi,Sb)$_2$Te$_3$. Approximately 20 % of the error is caused by a thermal phase-delay, unless an appropriate current frequency and voltage-terminal position are chosen. Thus, an accurate zT evaluation using a four-probe configuration at any voltage terminal position is achieved. These findings can lead to interesting thermoelectric metrology and could serve as a powerful tool to search for promising thermoelectric materials.
2404.01565v1
2024-04-02
From Seaweed to Security: The Emergence of Alginate in Compromising IoT Fingerprint Sensors
The increasing integration of capacitive fingerprint recognition sensors in IoT devices presents new challenges in digital forensics, particularly in the context of advanced fingerprint spoofing. Previous research has highlighted the effectiveness of materials such as latex and silicone in deceiving biometric systems. In this study, we introduce Alginate, a biopolymer derived from brown seaweed, as a novel material with the potential for spoofing IoT-specific capacitive fingerprint sensors. Our research uses Alginate and cutting-edge image recognition techniques to unveil a nuanced IoT vulnerability that raises significant security and privacy concerns. Our proof-of-concept experiments employed authentic fingerprint molds to create Alginate replicas, which exhibited remarkable visual and tactile similarities to real fingerprints. The conductivity and resistivity properties of Alginate, closely resembling human skin, make it a subject of interest in the digital forensics field, especially regarding its ability to spoof IoT device sensors. This study calls upon the digital forensics community to develop advanced anti-spoofing strategies to protect the evolving IoT infrastructure against such sophisticated threats.
2404.02150v1
2024-04-19
Perspective on descriptors of mechanical behavior of cubic transition-metal carbides and nitrides
Cubic rocksalt structured transition-metal carbides, nitrides, and related alloys (TMC/Ns) are attractive for a wide variety of applications, notably as hard, wear-resistant material. To-date, valence electron concentration (VEC) is used as a good indicator of stability and mechanical properties of these refractory compounds. In this perspective, we argue for the need for electronic descriptors beyond VEC to explain and predict the mechanical behavior of the cubic TMC/Ns. As such, we point out that descriptors that highlight differences between constituent have been underused, along with semi-empirical models of mechanical properties. Additionally, it appears promising to partition VEC into contribution to ionic, covalent, and metallic bonds and we suggest that such partition could provide more insight into predicting mechanical properties in the future.
2404.12853v2
2024-04-25
Anisotropic magnetoresistance in altermagnetic MnTe
Recently, MnTe was established as an altermagnetic material that hosts spin-polarized electronic bands as well as anomalous transport effects like the anomalous Hall effect. In addition to these effects arising from altermagnetism, MnTe also hosts other magnetoresistance effects. Here, we study the manipulation of the magnetic order by an applied magnetic field and its impact on the electrical resistivity. In particular, we establish which components of anisotropic magnetoresistance are present when the magnetic order is rotated within the hexagonal basal plane. Our experimental results, which are in agreement with our symmetry analysis of the magnetotransport components, showcase the existence of an anisotropic magnetoresistance linked to both the relative orientation of current and magnetic order, as well as crystal and magnetic order.
2404.16516v1
2024-05-26
Observation of in-plane anomalous Hall effect associated with orbital magnetization
For over a century, the Hall effect, a transverse effect under out-of-plane magnetic field or magnetization, has been a cornerstone for magnetotransport studies and applications. Modern theoretical formulation based on the Berry curvature has revealed the potential that even in-plane magnetic field can induce anomalous Hall effect, but its experimental demonstration has remained difficult due to its potentially small magnitude and strict symmetry requirements. Here we report observation of the in-plane anomalous Hall effect by measuring low-carrier density films of magnetic Weyl semimetal EuCd$_2$Sb$_2$. Anomalous Hall resistance exhibits distinct three-fold rotational symmetry for changes in the in-plane field component, and this can be understood in terms of out-of-plane Weyl points splitting or orbital magnetization induced by in-plane field, as also confirmed by model calculation. Our findings demonstrate the importance of in-plane field to control the Hall effect, accelerating materials development and further exploration of various in-plane field induced phenomena.
2405.16722v1
2024-05-28
Exchange Splitting Mechanism of Negative Magnetoresistance in Layered Antiferromagnetic Semimetals
Layered topologically non-trivial and trivial semimetals with AFM-type ordering of magnetic sublattice are known to exhibit a negative magnetoresistance that is well correlated with AFM magnetization changes in a magnetic field. This effect is reported in several experimental studies with EuFe$_2$As$_2$, EuSn$_2$As$_2$, EuSn$_2$P$_2$, etc., where the resistance decreases quadratically with field by about $\delta\rho/\rho \sim 4-6\%$ up to the spin-polarization field. Despite the fact that this effect is well documented experimentally, its theoretical explanation is missing up to date. In this paper we propose a novel theoretical mechanism describing the observed magnetoresistance that does not imply either topological origin of the materials, surface roughness, their potential defect structure, or electron-magnon scattering. We believe, the proposed intrinsic mechanism of magnetoresistance is applicable to a wide class of the layered AFM- ordered semimetals. The theoretically calculated magnetoresistance is qualitatively consistent with experimental data for crystals of various composition.
2405.18046v1
2005-04-07
Design of HIV-1-PR inhibitors which do not create resistance: blocking the folding of single monomers
One of the main problems of drug design is that of optimizing the drug--target interaction. In the case in which the target is a viral protein displaying a high mutation rate, a second problem arises, namely the eventual development of resistance. We wish to suggest a scheme for the design of non--conventional drugs which do not face any of these problems and apply it to the case of HIV--1 protease. It is based on the knowledge that the folding of single--domain proteins, like e.g. each of the monomers forming the HIV--1--PR homodimer, is controlled by local elementary structures (LES), stabilized by local contacts among hydrophobic, strongly interacting and highly conserved amino acids which play a central role in the folding process. Because LES have evolved over myriads of generations to recognize and strongly interact with each other so as to make the protein fold fast as well as to avoid aggregation with other proteins, highly specific (and thus little toxic) as well as effective folding--inhibitor drugs suggest themselves: short peptides (or eventually their mimetic molecules), displaying the same amino acid sequence of that of LES (p--LES). Aside from being specific and efficient, these inhibitors are expected not to induce resistance: in fact, mutations which successfully avoid their action imply the destabilization of one or more LES and thus should lead to protein denaturation. Making use of Monte Carlo simulations within the framework of a simple although not oversimplified model, which is able to reproduce the main thermodynamic as well as dynamic properties of monoglobular proteins, we first identify the LES of the HIV--1--PR and then show that the corresponding p--LES peptides act as effective inhibitors of the folding of the protease which do not create resistance.
0504011v1
2012-04-25
Rossby wave instability at dead zone boundaries in 3D resistive magnetohydrodynamical global models of protoplanetary disks
It has been suggested that the transition between magnetorotationally active and dead zones in protoplanetary disks should be prone to the excitation of vortices via Rossby wave instability (RWI). However, the only numerical evidence for this has come from alpha disk models, where the magnetic field evolution is not followed, and the effect of turbulence is parametrized by Laplacian viscosity. We aim to establish the phenomenology of the flow in the transition in 3D resistive-magnetohydrodynamical models. We model the transition by a sharp jump in resistivity, as expected in the inner dead zone boundary, using the Pencil Code to simulate the flow. We find that vortices are readily excited in the dead side of the transition. We measure the mass accretion rate finding similar levels of Reynolds stress at the dead and active zones, at the $\alpha\approx 10^{-2}$ level. The vortex sits in a pressure maximum and does not migrate, surviving until the end of the simulation. A pressure maximum in the active zone also triggers the RWI. The magnetized vortex that results should be disrupted by parasitical magneto-elliptic instabilities, yet it subsists in high resolution. This suggests that either the parasitic modes are still numerically damped, or that the RWI supplies vorticity faster than they can destroy it. We conclude that the resistive transition between the active and dead zones in the inner regions of protoplanetary disks, if sharp enough, can indeed excite vortices via RWI. Our results lend credence to previous works that relied on the alpha-disk approximation, and caution against the use of overly reduced azimuthal coverage on modeling this transition.
1204.5711v2
2014-12-18
Field topologies in ideal and near ideal magnetohydrodynamics and vortex dynamics
Magnetic field topology frozen in ideal magnetohydrodynamics (MHD) and its breakage in near ideal MHD are reviewed in two parts. The first part gives a physically complete description of the frozen in field topology, taking magnetic flux conservation as fundamental and treating four topics, Eulerian and Lagrangian descriptions of MHD, Chandrasekhar-Kendall and Euler-potential field representations, magnetic helicity, and inviscid vortex dynamics in comparison to ideal MHD. A corollary clarifies the challenge of achieving a high degree of the frozen in condition in numerical MHD. The second part treats field topology breakage centered on the Parker Magnetostatic Theorem on a general incompatibility of a continuous magnetic field with the dual demand of force free equilibrium and an arbitrarily prescribed, 3D field topology. Preserving field topology as a global constraint readily results in formation of tangential magnetic discontinuities, i.e., electric current sheets of zero thickness. A similar incompatibility is present in the steady, force and thermal balance of a heated radiating fluid subject to an anisotropic thermal flux conducted strictly along the frozen in magnetic field in the low beta limit. In a weakly resistive fluid the thinning of current sheets by these incompatibilities inevitably results in sheet dissipation, resistive heating and topological changes in the field despite the small resistivity. Faraday induction drives but also macroscopically limits this mode of energy dissipation, storing free energy in self organized, ideal MHD structures. This property of MHD turbulence captured by the Taylor hypothesis is reviewed in relation to the Sun's corona, calling for a basic quantitative description of the breakdown of flux conservation in the low resistivity limit. A cylindrical, initial boundary value problem provides specificity in the review.
1412.6158v1
2015-01-27
Unconventional Strong Spin-Fluctuation Effects around the Critical Pressure of the Itinerant Ising-Type Ferromagnet URhAl
Resistivity measurements were performed for the itinerant Ising-type ferromagnet URhAl at temperatures down to 40 mK under high pressure up to 7.5 GPa, using single crystals. We found that the critical pressure of the Curie temperature exists at around $P_c$ ~ 5.2 GPa. Near $P_c$, the $A$-coefficient of the $AT^{2}$ Fermi-liquid resistivity term below $T^*$ is largely enhanced with a maximum around 5.2-5.5 GPa. Above $P_c$, the exponent of the resistivity $\rho(T)$ deviates from 2. At $P_c$, it is close to $n = 5/3$, which is expected by the theory of three-dimensional ferromagnetic spin fluctuations for a 2nd-order quantum-critical point (QCP). However, $T_C(P)$ disappears as a 1st-order phase transition, and the critical behavior of resistivity in URhAl cannot be explained by the theory of a 2nd-order QCP. The 1st-order nature of the phase transition is weak, and the critical behavior is still dominated by the spin fluctuation at low temperature. With increasing pressure, the non-Fermi-liquid behavior is observed in higher fields. Magnetic field studies point out a ferromagnetic wing structure with a tri-critical point (TCP) at ~ 4.8-4.9 GPa in URhAl. One open possibility is that the switch from the ferromagnetic to the paramagnetic states does not occur simply but an intermediate state arises below the TCP as suggested theoretically recently. Quite generally, if a drastic Fermi-surface change occurs through $P_c$, the nature of the interaction itself may change and lead to the observed unconventional behavior.
1501.06701v2
2015-02-06
General-relativistic resistive-magnetohydrodynamic simulations of binary neutron stars
We have studied the dynamics of an equal-mass magnetized neutron-star binary within a resistive magnetohydrodynamic (RMHD) approach in which the highly conducting stellar interior is matched to an electrovacuum exterior. Because our analysis is aimed at assessing the modifications introduced by resistive effects on the dynamics of the binary after the merger and through to collapse, we have carried out a close comparison with an equivalent simulation performed within the traditional ideal magnetohydrodynamic approximation. We have found that there are many similarities between the two evolutions but also one important difference: the survival time of the hyper massive neutron star increases in a RMHD simulation. This difference is due to a less efficient magnetic-braking mechanism in the resistive regime, in which matter can move across magnetic-field lines, thus reducing the outward transport of angular momentum. Both the RMHD and the ideal magnetohydrodynamic simulations carried here have been performed at higher resolutions and with a different grid structure than those in previous work of ours [L. Rezzolla, B. Giacomazzo, L. Baiotti, J. Granot, C. Kouveliotou, and M. A. Aloy, Astrophys. J. Letters 732, L6 (2011)], but confirm the formation of a low-density funnel with an ordered magnetic field produced by the black hole--torus system. In both regimes the magnetic field is predominantly toroidal in the highly conducting torus and predominantly poloidal in the nearly evacuated funnel. Reconnection processes or neutrino annihilation occurring in the funnel, none of which we model, could potentially increase the internal energy in the funnel and launch a relativistic outflow, which, however, is not produced in these simulations.
1502.02021v2
2016-04-19
A chemical solver to compute molecule and grain abundances and non-ideal MHD resistivities in prestellar core collapse calculations
We develop a detailed chemical network relevant to the conditions characteristic of prestellar core collapse. We solve the system of time-dependent differential equations to calculate the equilibrium abundances of molecules and dust grains, with a size distribution given by size-bins for these latter. These abundances are used to compute the different non-ideal magneto-hydrodynamics resistivities (ambipolar, Ohmic and Hall), needed to carry out simulations of protostellar collapse. For the first time in this context, we take into account the evaporation of the grains, the thermal ionisation of Potassium, Sodium and Hydrogen at high temperature, and the thermionic emission of grains in the chemical network, and we explore the impact of various cosmic ray ionisation rates. All these processes significantly affect the non-ideal magneto-hydrodynamics resistivities, which will modify the dynamics of the collapse. Ambipolar diffusion and Hall effect dominate at low densities, up to n_H = 10^12 cm^-3, after which Ohmic diffusion takes over. We find that the time-scale needed to reach chemical equilibrium is always shorter than the typical dynamical (free fall) one. This allows us to build a large, multi-dimensional multi-species equilibrium abundance table over a large temperature, density and ionisation rate ranges. This table, which we make accessible to the community, is used during first and second prestellar core collapse calculations to compute the non-ideal magneto-hydrodynamics resistivities, yielding a consistent dynamical-chemical description of this process.
1604.05613v6
2017-03-06
Mutation supply and the repeatability of selection for antibiotic resistance
Whether evolution can be predicted is a key question in evolutionary biology. Here we set out to better understand the repeatability of evolution. We explored experimentally the effect of mutation supply and the strength of selective pressure on the repeatability of selection from standing genetic variation. Different sizes of mutant libraries of an antibiotic resistance gene, TEM-1 $\beta$-lactamase in Escherichia coli, were subjected to different antibiotic concentrations. We determined whether populations went extinct or survived, and sequenced the TEM gene of the surviving populations. The distribution of mutations per allele in our mutant libraries- generated by error-prone PCR- followed a Poisson distribution. Extinction patterns could be explained by a simple stochastic model that assumed the sampling of beneficial mutations was key for survival. In most surviving populations, alleles containing at least one known large-effect beneficial mutation were present. These genotype data also support a model which only invokes sampling effects to describe the occurrence of alleles containing large-effect driver mutations. Hence, evolution is largely predictable given cursory knowledge of mutational fitness effects, the mutation rate and population size. There were no clear trends in the repeatability of selected mutants when we considered all mutations present. However, when only known large-effect mutations were considered, the outcome of selection is less repeatable for large libraries, in contrast to expectations. Furthermore, we show experimentally that alleles carrying multiple mutations selected from large libraries confer higher resistance levels relative to alleles with only a known large-effect mutation, suggesting that the scarcity of high-resistance alleles carrying multiple mutations may contribute to the decrease in repeatability at large library sizes.
1703.01896v1
2020-03-16
Effect of cytosol viscosity on the flow behavior of red blood cell suspensions in microvessels
The flow behavior of blood in microvessels is directly associated with tissue perfusion and oxygen delivery. Current efforts on modeling blood flow have primarily focused on the flow properties of blood with red blood cells (RBCs) having a viscosity ratio $C$ of unity between the cytosol and suspending medium, while under physiological conditions the cytosol viscosity is about five times larger than the plasma viscosity (i.e., $C\approx 5$). The importance of $C$ for the behavior of single RBCs in fluid flow has already been demonstrated, while the effect of $C$ on blood flow has only been sparsely studied. We employ mesoscopic hydrodynamic simulations to perform a systematic investigation of flow properties of RBC suspensions with different cytosol viscosities for various flow conditions in cylindrical microchannels. Our main aim is to link macroscopic flow properties such as flow resistance to single cell deformation and dynamics as a function of $C$. Starting from a dispersed cell configuration, we find that the flow convergence and the development of a RBC-free layer (RBC-FL) depend only weakly on $C$, and require a convergence length in the range of $25D-50D$, where $D$ is the channel diameter. The flow resistance for $C=5$ is nearly the same as that for $C=1$, which is facilitated by a slightly larger RBC-FL thickness for $C=5$. This effect is due to the suppression of membrane motion and dynamic shape deformations by a more viscous cytosol for $C=5$, resulting in a more compact cellular core of the flow in comparison to $C=1$. The weak effect of cytosol viscosity on the flow resistance and RBC-FL explains why cells can have a high concentration of hemoglobin for efficient oxygen delivery, without a pronounced increase in the flow resistance.
2003.09217v1
2019-12-24
DC resistivity near a nematic quantum critical point: Effects of weak disorder and acoustic phonons
We calculate the resistivity associated with an Ising-nematic quantum critical point in the presence of disorder and acoustic phonons in the lattice model. We use the memory-matrix transport theory, which has a crucial advantage compared to other methods of not relying on the existence of well-defined quasiparticles in the low-energy effective theory. As a result, we obtain that by including an inevitable interaction between the nematic fluctuations and the elastic degrees of freedom of the lattice (parametrized by the nemato-elastic coupling $\kappa_{\text{latt}}$), the resistivity $\rho(T)$ of the system as a function of temperature obeys a universal scaling form described by $\rho(T)\sim T\ln (1/T)$ at high temperatures, reminiscent of the paradigmatic strange metal regime observed in many strongly correlated compounds. For a window of temperatures comparable with $\kappa^{3/2}_{\text{latt}}\varepsilon_F$ (where $\varepsilon_F$ is the Fermi energy of the microscopic model), the system displays another regime in which the resistivity is consistent with a description in terms of $\rho(T)\sim T^{\alpha}$, where the effective exponent roughly satisfies the inequality $1\lesssim\alpha\lesssim 2$. However, in the low-temperature limit (i.e., $T\ll\kappa^{3/2}_{\text{latt}}\varepsilon_F$), the properties of the quantum critical state change in an important way depending on the types of disorder present in the system: It can either recover a conventional Fermi liquid described by $\rho(T)\sim T^2$ or it could exhibit yet another non-Fermi liquid regime characterized by the scaling form $\rho(T)-\rho_0\sim T^2\ln T$. Our results emphasize the key role played by both phonon and disorder effects in the scenario of nematic quantum criticality and might be fundamental for addressing recent transport experiments in some iron-based superconductors.
1912.11558v3
2016-08-16
Universal Fragment Descriptors for Predicting Electronic Properties of Inorganic Crystals
Historically, materials discovery has been driven by a laborious trial-and-error process. The growth of materials databases and emerging informatics approaches finally offer the opportunity to transform this practice into data- and knowledge-driven rational design. By using data from the AFLOW repository for high-throughput ab-initio calculations, we have generated Quantitative Materials Structure-Property Relationship (QMSPR) models to predict eight critical electronic and thermomechanical materials properties, such as the metal/insulator classification, band gap energy, bulk and shear moduli, Debye temperature, and heat capacity. The prediction accuracy obtained with these QMSPR models approaches training data for virtually any stoichiometric inorganic crystalline material. The success and universality of these models is attributed to the construction of new materials descriptors---referred to as the universal Property-Labeled Materials Fragments (PLMF). The representation requires only minimal structural input and affords straightforward model interpretation in terms of simple heuristic design rules that guide rational materials design. This study demonstrates the power of materials informatics to dramatically accelerate the search for new materials.
1608.04782v3
2019-05-30
Surface waves with negative phase velocity supported by temperature-dependent hyperbolic materials
A numerical investigation was undertaken to elucidate the propagation of electromagnetic surface waves guided by the planar interface of two temperature-sensitive materials. One partnering material was chosen to be isotropic and the other to be anisotropic. Both partnering materials were engineered composite materials, based on the temperature-sensitive semiconductor InSb. At low temperatures the anisotropic partnering material is a non-hyperbolic uniaxial material; as the temperature is raised this material becomes a hyperbolic uniaxial material. At low temperatures, a solitary Dyakonov wave propagates along any specific direction in a range of directions parallel to the planar interface. At high temperatures, up to three different surface waves can propagate in certain directions parallel to the planar interface; one of these surface waves propagates with negative phase velocity (NPV). At a fixed temperature, the range of directions for NPV propagation decreases uniformly in extent as the volume fraction of InSb in the isotropic partnering material decreases. At a fixed volume fraction of InSb in the isotropic partnering material, the angular range for NPV propagation varies substantially as the temperature varies.
1905.13092v2
2015-06-13
Predicting Fracture Energies and Crack-Tip Fields of Soft Tough Materials
Soft materials including elastomers and gels are pervasive in biological systems and technological applications. Whereas it is known that intrinsic fracture energies of soft materials are relatively low, how the intrinsic fracture energy cooperates with mechanical dissipation in process zone to give high fracture toughness of soft materials is not well understood. In addition, it is still challenging to predict fracture energies and crack-tip strain fields of soft tough materials. Here, we report a scaling theory that accounts for synergistic effects of intrinsic fracture energies and dissipation on the toughening of soft materials. We then develop a coupled cohesive-zone and Mullins-effect model capable of quantitatively predicting fracture energies of soft tough materials and strain fields around crack tips in soft materials under large deformation. The theory and model are quantitatively validated by experiments on fracture of soft tough materials under large deformations. We further provide a general toughening diagram that can guide the design of new soft tough materials.
1506.04271v1
2023-04-19
Towards a muon scattering tomography system for both low-Z and high-Z materials
Muon scattering tomography (MST) is a non-destructive technique to image various materials by utilizing cosmic ray muons as probes. A typical MST system with a two-fold track detectors is particularly effective in detecting high-$Z$ materials (e.g. nuclear materials), but difficult to recognize low-$Z$ materials (e.g. explosive materials). In this work, we present a concept of MST system to discriminate both low-$Z$ and high-$Z$ materials by extra measuring momentum of low-energy muons with a Cherenkov detector. A toy Monte Carlo simulation to describe detector responses and multiple scatterings of a muon tracking through materials is developed for statistical tests. Based on momentum-dependent track reconstruction and image reconstruction algorithm, we evaluate separation powers of different materials in the system. The results show that momentum measurement of low-energy muons and accurate track reconstruction can improve separation power of low-$Z$ materials significantly. This may enable the MST system to detect both low-$Z$ and high-$Z$ materials with cosmic ray muons in the whole energy range.
2304.09489v2
2024-05-08
2D ferroelectrics and ferroelectrics with 2D: materials and device prospects
Ferroelectric and two-dimensional materials are both heavily investigated classes of electronic materials. This is unsurprising since they both have superlative fundamental properties and high-value applications in computing, sensing etc. In this Perspective, we investigate the research topics where 2D semiconductors and ferroelectric materials both in 2D or 3D form come together. 2D semiconductors have unique attributes due to their van der Waals nature that permits their facile integration with any other electronic or optical materials. In addition, the emergence of ferroelectricity in 2D monolayers, multilayers, and artificial structures offers further advantages since traditionally ferroelectricity has been difficult to achieve in extremely thickness scaled materials. In this perspective, we elaborate on the applications of 2D materials + ferroelectricity in non-volatile memory devices highlighting their potential for in-memory computing, neuromorphic computing, optoelectronics, and spintronics. We also suggest the challenges posed by both ferroelectrics and 2D materials, including material/device preparation, and reliable characterizations to drive further investigations at the interface of these important classes of electronic materials.
2405.05432v1
2019-08-14
Substrate effects on charged defects in two-dimensional materials
Two-dimensional (2D) materials are strongly affected by the dielectric environment including substrates, making it an important factor in designing materials for quantum and electronic technologies. Yet, first-principles evaluation of charged defect energetics in 2D materials typically do not include substrates due to the high computational cost. We present a general continuum model approach to incorporate substrate effects directly in density-functional theory calculations of charged defects in the 2D material alone. We show that this technique accurately predicts charge defect energies compared to much more expensive explicit substrate calculations, but with the computational expediency of calculating defects in free-standing 2D materials. Using this technique, we rapidly predict the substantial modification of charge transition levels of two defects in MoS$_2$ and ten defects promising for quantum technologies in hBN, due to SiO$_2$ and diamond substrates. This establishes a foundation for high-throughput computational screening of new quantum defects in 2D materials that critically accounts for substrate effects.
1908.05208v1
2019-12-05
Do 2D material-based battery electrodes have inherently poor rate-performance?
Two dimensional materials show great potential for use in battery electrodes and are believed to be particularly promising for high-rate applications. However, there does not seem to be much hard evidence for the superior rate-performance of 2D materials compared to non-2D materials. To examine this point, we have analyzed published rate-performance data for a wide range of 2D materials as well as non-2D materials for comparison. For each capacity-rate curve we extract parameters which quantify performance which can then be analyzed using a simple mechanistic model. Contrary to expectations, by comparing a previously-proposed figure of merit, we find 2D-based electrodes to be on average ~40 times poorer in terms of rate performance than non-2D materials. This is not due to differences in solid-state diffusion times which were similarly distributed for 2D and non-2D materials. In fact, we found the main difference between 2D and non-2D materials to be that ion mobility within the electrolyte-filled pores of the electrodes to be significantly lower for 2D materials, a situation which we attribute to their high aspect ratios.
1912.02482v1
2023-08-18
MATLABER: Material-Aware Text-to-3D via LAtent BRDF auto-EncodeR
Based on powerful text-to-image diffusion models, text-to-3D generation has made significant progress in generating compelling geometry and appearance. However, existing methods still struggle to recover high-fidelity object materials, either only considering Lambertian reflectance, or failing to disentangle BRDF materials from the environment lights. In this work, we propose Material-Aware Text-to-3D via LAtent BRDF auto-EncodeR (\textbf{MATLABER}) that leverages a novel latent BRDF auto-encoder for material generation. We train this auto-encoder with large-scale real-world BRDF collections and ensure the smoothness of its latent space, which implicitly acts as a natural distribution of materials. During appearance modeling in text-to-3D generation, the latent BRDF embeddings, rather than BRDF parameters, are predicted via a material network. Through exhaustive experiments, our approach demonstrates the superiority over existing ones in generating realistic and coherent object materials. Moreover, high-quality materials naturally enable multiple downstream tasks such as relighting and material editing. Code and model will be publicly available at \url{https://sheldontsui.github.io/projects/Matlaber}.
2308.09278v1
2023-08-23
Energy landscape and phase competition of CsV3Sb5-, CsV6Sb6-, and TbMn6Sn6-type Kagome materials
Finding viable Kagome lattices is vital for materializing novel phenomena in quantum materials. In this work, we performed element substitutions on CsV3Sb5 with space group P6/mmm, TbMn6Sn6 with space group P6/mmm, and CsV6Sb6 with space group R-3 m, respectively, as the parent compounds. A total of 4158 materials were obtained through element substitutions, and these materials were then calculated via density function theory in high-throughput mode. Afterward, 48 materials were identified with high thermodynamic stability (E_hull<5meV/atom). Furthermore, we compared the thermodynamic stability of three different phases with the same elemental composition and predicted some competing phases that may arise during material synthesis. Finally, by calculating the electronic structures of these materials, we attempted to identify patterns in the electronic structure variations as the elements change. This work provides guidance for discovering promising AM3X5/AM6X6 Kagome materials from a vast phase space.
2308.11930v1
2019-11-26
A hunt for ultrahard materials
Recent results on search (theoretical prediction, high-pressure synthesis, etc.) for novel superhard and ultrahard materials are briefly reviewed.
1911.11731v1
2021-12-17
High-throughput Discovery and Intelligent Design of 2D Functional Materials for Various Applications
Novel technologies and new materials are in high demand for future energy-efficient electronic devices to overcome the fundamental limitations of miniaturization of current silicon-based devices. Two-dimensional (2D) materials show promising applications in the next generation devices because they can be tailored on the specific property that a technology is based on, and be compatible with other technologies, such as the silicon-based (opto)electronics. Although the number of experimentally discovered 2D materials is growing, the speed is very slow and only a few dozen 2D materials have been synthesized or exfoliated since the discovery of graphene. Recently, a novel computational technique, dubbed "high-throughput computational materials design", becomes a burgeoning area of materials science, which is the combination of the quantum-mechanical theory, materials genome, and database construction with intelligent data mining. This new and powerful tool can greatly accelerate the discovery, design and application of 2D materials by creating database containing a large amount of 2D materials with calculated fundamental properties, and then intelligently mining (via high-throughput automation or machine learning) the database in the search of 2D materials with the desired properties for particular applications, such as energy conversion, electronics, spintronics, and optoelectronics.
2112.09347v1
2006-05-25
High-Pressure Synthesized Materials: a Chest of Treasure and Hints
The present review covers the production of new materials under high pressures. A primary limitation on the use of pressures higher than 1 GPa is a small volume and mass of a produced material. Therefore, despite an extremely wide range of new high-pressure synthesized substances with unique properties, synthesis on an commercial scale is applied up to now only to obtain superhard materials, this real treasure of today's industry. At the same time, high-pressure experiments often give material scientists a hint at what new intriguing substances can exist in principle. This is true for new superhard, semiconducting, magnetic, superconducting and optical materials already synthesized under pressure, and as well as for a large number of hypothetic new polymers from low-Z elements. Many of new materials, including the above polymers, may exist in the metastable form at normal pressure at sufficiently high temperatures.
0605626v1
2020-02-13
First-principles discovery of stable two-dimensional materials with high-level piezoelectric response
The rational design of two-dimensional piezoelectric materials has recently garnered great interest due to their increasing use in technological applications, including sensor technology, actuating devices, energy harvesting, and medical applications. Several materials possessing high piezoelectric response have been reported so far, but a high-throughput first-principles approach to estimate the piezoelectric potential of layered materials has not been performed yet. In this study, we systematically investigated the piezoelectric ($e_{11}$, $d_{11}$) and elastic (C$_{11}$ and C$_{12}$) properties of 128 thermodynamically stable two-dimensional (2D) semiconductor materials by employing first-principle methods. Our high-throughput approach demonstrates that the materials containing Group-\textrm{V} elements produce significantly high piezoelectric strain constants, $d_{11}$ $>$ 40 pmV$^{-1}$, and 49 of the materials considered have the $e_{11}$ coefficient higher than MoS$_{2}$ insomuch as BrSSb has one of the largest $d_{11}$ with a value of 373.0 pmV$^{-1}$. Moreover, we established a simple empirical model in order to estimate the $d_{11}$ coefficients by utilizing the relative ionic motion in the unit cell and the polarizability of the individual elements in the compounds.
2002.05803v2
2022-03-08
Recent Progress of Heterostructures Based on Two Dimensional Materials and Wide Bandgap Semiconductors
Recent progress in the synthesis and assembly of two-dimensional (2D) materials has laid the foundation for various applications of atomically thin layer films. These 2D materials possess rich and diverse properties such as layer-dependent band gaps, interesting spin degrees of freedom, and variable crystal structures. They exhibit broad application prospects in micro-nano devices. In the meantime, the wide bandgap semiconductors (WBS) with an elevated breakdown voltage, high mobility, and high thermal conductivity have shown important applications in high-frequency microwave devices, high-temperature and high-power electronic devices. Beyond the study on single 2D materials or WBS materials, the multi-functional 2D/WBS heterostructures can promote the carrier transport at the interface, potentially providing novel physical phenomena and applications, and improving the performance of electronic and optoelectronic devices. In this review, we overview the advantages of the heterostructures of 2D materials and WBS materials, and introduce the construction methods of 2D/WBS heterostructures. Then, we present the diversity and recent progress in the applications of 2D/WBS heterostructures, including photodetectors, photocatalysis, sensors, and energy related devices. Finally, we put forward the current challenges of 2D/WBS heterostructures and propose the promising research directions in the future.
2203.03895v1
1998-11-17
Stripes, Electron-Like and Polaron-Like Carriers, and High-T_c in the Cuprates
Both "large-U" and "small-U" orbitals are used to study the electronic structure of the high-T_c cuprates. A striped structure with three types of carriers are induced, polaron-like "stripons" which carry charge, "quasielectrons" which carry both charge and spin, and "svivons" which carry spin and lattice distortion. Anomalous physical properties of the cuprates are derived, and specifically the systematic behavior of the resistivity, Hall constant, and thermoelectric power. Transitions between pair states of quasielectrons and stripons drive high-temperature superconductivity.
9811261v1
1999-05-12
Stripes, Carriers, and High Tc in the Cuprates
Considering both "large-U" and "small-U" orbitals it is found that the high-Tc cuprates are characterized by a striped structure, and three types of carriers: polaron-like "stripons" carrying charge, "quasielectrons" carrying charge and spin, and "svivons" carrying spin and lattice distortion. It is shown that this electronic structure leads to the anomalous physical properties of the cuprates, and specifically the systematic behavior of the resistivity, Hall constant, and thermoelectric power. High-Tc pairing results from transitions between pair states of quasielectrons and stripons through the exchange of svivons. A pseudogap phase occurs when pairing takes place above the temperature where stripons become coherent, and this temperature determines the Uemura limit.
9905172v1
1999-11-12
High-Field Electrical Transport in Single-Wall Carbon Nanotubes
Using low-resistance electrical contacts, we have measured the intrinsic high-field transport properties of metallic single-wall carbon nanotubes. Individual nanotubes appear to be able to carry currents with a density exceeding 10^9 A/cm^2. As the bias voltage is increased, the conductance drops dramatically due to scattering of electrons. We show that the current-voltage characteristics can be explained by considering optical or zone-boundary phonon emission as the dominant scattering mechanism at high field.
9911186v1
2003-06-12
Magnetoresistance of Si(001) MOSFETs with high concentration of electrons
We present an experimental study of electron transport in inversion layers of high-mobility Si(001) samples with occupied excited subbands. The second series of oscillations, observed in addition to the main series of Shubnikov-de Hass oscillations, is tentatively attributed to the occupation of a subband associated with the $E_{0'}$ level. Besides, a strong negative magnetoresistance and nonlinear field dependence of the Hall resistance accompany the novel oscillations at high carrier concentrations. The heating of the 2D electron layers leads to suppression of the observed anomalies.
0306330v1
2005-02-18
High pressure synthesis of a new superconductor Sr2CuO2+xCl2-y induced by apical oxygen doping
Using the apical oxygen doping mechanism, i.e. a partial substitution of divalence O for the monovalence Cl, a p-type oxychloride cuprate superconductor, Sr2CuO2+xCl2-y, was synthesized at high pressure high temperature. The x-ray diffraction refinement suggests the superconductor crystallizes into a 0201 structure with space group I4/mmm and lattice parameters being a=3.92A, c=15.6 A. The magnetic susceptibility as well as resistance measurements indicated that the bulk superconductivity with transition temperature 30K was achieved in the sample.
0502449v1
2006-04-28
Evidence for Carrier-Induced High-Tc Ferromagnetism in Mn-doped GaN film
A GaN film doped with 8.2 % Mn was grown by the molecular-beam-epitaxy technique. Magnetization measurements show that this highly Mn-doped GaN film exhibits ferromagnetism above room temperature. It is also revealed that the high-temperature ferromagnetic state is significantly suppressed below 10 K, accompanied by an increase of the electrical resistivity with decreasing temperature. This observation clearly demonstrates a close relation between the ferromagnetism with extremely high-Tc and the carrier transport in the Mn-doped GaN film.
0604647v1
2006-10-05
Robust charge stripe order under high electric fields in Nd1.67Sr0.33NiO4
The influence of high electric fields on the charge stripe order in Nd1.67Sr0.33NiO4 was studied by means of simultaneous hard x-ray diffraction and electrical transport experiments. Direct measurements of the charge stripe satellite peaks in zero and high electric fields provide no evidence for a deformation or a sliding of the stripe lattice, which contradicts previous indications from non-linear conductance effects. By using the order parameter of a structural phase transition for instant sample temperature measurements, non-linear transport effects can be attributed to resistive heating. Implications for the pinning of stripes in the nickelates are discussed.
0610132v1
2005-04-26
Flux profile scanners for scattered high-energy electrons
The paper describes the design and performance of flux integrating Cherenkov scanners with air-core reflecting light guides used in a high-energy, high-flux electron scattering experiment at the Stanford Linear Accelerator Center. The scanners were highly radiation resistant and provided a good signal to background ratio leading to very good spatial resolution of the scattered electron flux profile scans.
0504029v1
2001-06-05
Bell inequalities for arbitrarily high dimensional systems
We develop a novel approach to Bell inequalities based on a constraint that the correlations exhibited by local realistic theories must satisfy. This is used to construct a family of Bell inequalities for bipartite quantum systems of arbitrarily high dimensionality which are strongly resistant to noise. In particular our work gives an analytic description of numerical results of D. Kaszlikowski, P. Gnacinski, M. Zukowski, W. Miklaszewski, A. Zeilinger, Phys. Rev. Lett. {\bf 85}, 4418 (2000) and T. Durt, D. Kaszlikowski, M. Zukowski, quant-ph/0101084, and generalises them to arbitrarily high dimensionality.
0106024v2
2008-04-07
Hg-Based Superconducting Cuprates: High Tc and Pseudo Spin-Gap
A brief review of microscopic studies of high-Tc superconductors HgBa2CuO4+d and HgBa2CaCu2O6+d is presented. The topics concerned are the pseudo spin-gap, the antiferromagnetic spin fluctuations near the quantum critical point, and the mechanism of the high Tc via NMR. The crystal structure with the flat CuO2 plane, two-dimensional electrical resistivity, Cu NQR, NMR experimental results are discussed.
0804.0911v2
2008-09-12
Effect of oxygen incorporation on normal and superconducting properties of MgB2 films
Oxygen was systematically incorporated in MBE grown MgB2 films using in-situ post-growth anneals in an oxygen environment. Connectivity analysis in combination with measurements of the critical temperature and resistivity indicate that oxygen is distributed both within and between the grains. High values of critical current densities in field (~4x10^5 A/cm^2 at 8 T and 4.2 K), extrabolated critical fields (>45 T) and slopes of critical field versus temperature (1.4 T/K) are observed. Our results suggest that low growth temperatures (300oC) and oxygen doping (>0.65%) can produce MgB2 with high Jc values in field and Hc2 for high-field magnet applications.
0809.2297v1
2009-07-20
Electrical Transport in High Quality Graphene pnp Junctions
We fabricate and investigate high quality graphene devices with contactless, suspended top gates, and demonstrate formation of graphene pnp junctions with tunable polarity and doping levels. The device resistance displays distinct oscillations in the npn regime, arising from the Fabry-Perot interference of holes between the two pn interfaces. At high magnetic fields, we observe well-defined quantum Hall plateaus, which can be satisfactorily fit to theoretical calculations based on the aspect ratio of the device.
0907.3366v1
2009-11-11
Enhanced superconductivity of YBCO interfaces: origin of high critical temperature in layered superconductors
Superconducting transition temperatures Tc of the YBCO film surface and of the YBCO film/substrate interface were measured inductively. It was observed that the interface- Tc is always higher then the surface - Tc. However deposition of silver over-layer enhances the superconducting transition temperatures. This observation was confirmed by four-point resistance measurements. In the annealed YBCO/Ag bilayers magnetic properties of the interface were observed. We believe that such phenomena are a common feature of layered systems. This two dimensional structure reminds the layered microstructure of the high-temperature superconductors and one can suppose that covering of the superconducting layer by non-superconducting layer is a condition for obtaining high critical temperatures in general.
0911.2107v1
2010-12-22
Transport properties of the new Fe-based superconductor KxFe2Se2 (Tc = 33 K)
We synthesized the new Fe-based superconductor K0.8Fe2Se2 single crystals. The obtained single crystal exhibited a sharp superconducting transition, and the onset and zero-resistivity temperature was estimated to be 33 and 31.8 K, respectively. A high upper critical field of 192 T was obtained. Anisotropy of superconductivity of K0.8Fe2Se2 was ~3.6. Both the high upper critical field and comparably low anisotropy are advantageous for the application under high magnetic field.
1012.4950v1
2011-12-13
High-frequency performance of graphene field effect transistors with saturating IV-characteristics
High-frequency performance of graphene field-effect transistors (GFETs) with boron-nitride gate dielectrics is investigated. Devices show saturating IV characteristics and fmax values as high as 34 GHz at 600-nm channel length. Bias dependence of fT and fmax and the effect of the ambipolar channel on transconductance and output resistance are also examined.
1112.2777v1
2018-02-02
Ultra-high Q terahertz whispering-gallery modes in a silicon resonator
We report on the first experimental demonstration of terahertz (THz) whispering-gallery modes (WGMs) with an ultra high quality (Q) factor of $1.5 \times {10}^{4}$ at 0.62THz. The WGMs are observed in a high resistivity float zone silicon (HRFZ-Si) spherical resonator coupled to a sub-wavelength silica waveguide. A detailed analysis of the coherent continuous wave (CW) THz spectroscopy measurements combined with a numerical model based on Mie-Debye-Aden-Kerker (MDAK) theory allows to unambiguously identify the observed higher order radial THz WGMs.
1802.00549v1
2022-06-09
Characterisation of a new RPC prototype using conventional gas mixture
Resistive Plate Chamber (RPC) is a well-known gaseous detector in the field of High Energy Physics (HEP) experiments for its good tracking capability, high efficiency, good time resolution, and low cost of fabrication. The main issue in RPC is its limitation in the rate handling capability. Several experimental groups have developed sophisticated techniques to increase the particle rate capability and reduce the noise rate of this detector. In this article, we discussed a new method for linseed oil coating in case of bakelite RPC detector to achieve good efficiency and the results obtained using a conventional gas mixture.
2206.04259v1
2023-04-05
STRV -- A radiation hard RISC-V microprocessor for high-energy physics applications
While microprocessors are used in various applications, they are precluded from the use in high-energy physics applications due to the harsh radiation present. To overcome this limitation a microprocessor design must withstand high doses of radiation and mitigate radiation induced soft errors. A TMR protection scheme is applied to protect a RISC-V microprocessor core against these faults. The protection of the integrated SRAM by an independent scrubbing algorithm is discussed. Initial irradiation results and power consumption measurements of the radiation-resistant RISC-V microprocessor implemented in 65 nm CMOS technology are presented.
2304.02410v1
2023-05-02
Robust and Adaptive Functional Logistic Regression
We introduce and study a family of robust estimators for the functional logistic regression model whose robustness automatically adapts to the data thereby leading to estimators with high efficiency in clean data and a high degree of resistance towards atypical observations. The estimators are based on the concept of density power divergence between densities and may be formed with any combination of lower rank approximations and penalties, as the need arises. For these estimators we prove uniform convergence and high rates of convergence with respect to the commonly used prediction error under fairly general assumptions. The highly competitive practical performance of our proposal is illustrated on a simulation study and a real data example which includes atypical observations.
2305.01350v1
2014-10-07
Decoding Spatial Complexity in Strongly Correlated Electronic Systems
Inside the metals, semiconductors, and magnets of our everyday experience, electrons are uniformly distributed throughout the material. By contrast, electrons often form clumpy patterns inside of strongly correlated electronic systems (SCES) such as colossal magnetoresistance materials and high temperature superconductors. In copper-oxide based high temperature superconductors, scanning tunneling microscopy (STM) has detected an electron nematic on the surface of the material, in which the electrons form nanoscale structures which break the rotational symmetry of the host crystal. These structures may hold the key to unlocking the mystery of high temperature superconductivity in these materials, but only if the nematic also exists throughout the entire bulk of the material. Using newly developed methods for decoding these surface structures, we find that the nematic indeed persists throughout the bulk of the material. We furthermore find that the intricate pattern formation is set by a delicate balance among disorder, interactions, and material anisotropy, leading to a fractal nature of the cluster pattern. The methods we have developed can be extended to many other surface probes and materials, enabling surface probes to determine whether surface structures are confined only to the surface, or whether they extend throughout the material.
1410.1787v1
2021-04-13
Multiscale modeling of materials: Computing, data science,uncertainty and goal-oriented optimization
The recent decades have seen various attempts at accelerating the process of developing materials targeted towards specific applications. The performance required for a particular application leads to the choice of a particular material system whose properties are optimized by manipulating its underlying microstructure through processing. The specific configuration of the structure is then designed by characterizing the material in detail, and using this characterization along with physical principles in system level simulations and optimization. These have been advanced by multiscale modeling of materials, high-throughput experimentations, materials data-bases, topology optimization and other ideas. Still, developing materials for extreme applications involving large deformation, high strain rates and high temperatures remains a challenge. This article reviews a number of recent methods that advance the goal of designing materials targeted by specific applications.
2104.05918v1
2021-09-05
Discovery and Engineering of Low Work Function Perovskite Materials
Materials with low work functions are critical for an array of applications requiring the facile removal or efficient transport of electrons through a device. Perovskite oxides are a promising class of materials for finding low work functions, and here we target applications in thermionic and field electron emission. Perovskites have highly malleable compositions which enable tunable work function values over a wide range, robust stability at high temperatures, and high electronic conductivities. In this work, we screened over 2900 perovskite oxides in search of stable, conductive, low-work-function materials using Density Functional Theory (DFT) methods. Our work provides insight into the materials chemistry governing the work function value of a perovskite, where materials with barely filled d bands possess the lowest work functions. Our screening has resulted in a total of seven promising compounds, such as BaMoO3 and SrNb0.75Co0.25O3 with work functions of 1.1 eV and 1.5 eV, respectively. These promising materials and others presented in this study may find use as low work function electron emitters in high power vacuum electronic and thermionic energy conversion devices. Moreover, the database of calculated work functions and materials chemistry trends governing the value of the work function may aid in the engineering of perovskite heterojunction devices.
2109.02005v1
2003-05-20
Very high upper critical fields in MgB2 produced by selective tuning of impurity scattering
We report a significant enhancement of the upper critical field $H_{c2}$ of different $MgB_2$ samples alloyed with nonmagnetic impurities. By studying films and bulk polycrystals with different resistivities $\rho$, we show a clear trend of $H_{c2}$ increase as $\rho$ increases. One particular high resistivity film had zero-temperature $H_{c2}(0)$ well above the $H_{c2}$ values of competing non-cuprate superconductors such as $Nb_3Sn$ and Nb-Ti. Our high-field transport measurements give record values $H_{c2}^\perp (0) \approx 34T$ and $H_{c2}\|(0) \approx 49 T$ for high resistivity films and $H_{c2}(0)\approx 29 T$ for untextured bulk polycrystals. The highest $H_{c2}$ film also exhibits a significant upward curvature of $H_{c2}(T)$, and temperature dependence of the anisotropy parameter $\gamma(T) = H_{c2}\|/ H_{c2}^\perp$ opposite to that of single crystals: $\gamma(T)$ decreases as the temperature decreases, from $\gamma(T_c) \approx 2$ to $\gamma(0) \approx 1.5$. This remarkable $H_{c2}$ enhancement and its anomalous temperature dependence are a consequence of the two-gap superconductivity in $MgB_2$, which offers special opportunities for further $H_{c2}$ increase by tuning of the impurity scattering by selective alloying on Mg and B sites. Our experimental results can be explained by a theory of two-gap superconductivity in the dirty limit. The very high values of $H_{c2}(T)$ observed suggest that $MgB_2$ can be made into a versatile, competitive high-field superconductor.
0305474v2
2021-08-30
Machine Learning for Predicting Thermal Transport Properties of Solids
Quantitative descriptions of the structure-thermal property correlation have been a bottleneck in designing materials with superb thermal properties. In the past decade, the first-principles phonon calculations using density functional theory and the Boltzmann transport equation have become a common practice for predicting the thermal conductivity of new materials. However, first-principles calculations are too costly for high-throughput material screening and multi-scale structural design. First-principles calculations also face several fundamental challenges in modeling thermal transport properties, e.g., of crystalline materials with defects, of amorphous materials, and for materials at high temperatures. In the past five years, machine learning started to play a role in solving these challenges. This review provides a comprehensive summary and discussion on the state-of-the-art, future opportunities, and the remaining challenges in implementing machine learning for studying thermal conductivity. After an introduction to the working principles of machine learning and descriptors of material structures, recent research using machine learning to study thermal transport is discussed. Three major applications of machine learning for predicting thermal properties are discussed. First, machine learning is applied to solve the challenges in modeling phonon transport of crystals with defects, in amorphous materials, and at high temperatures. Machine learning is used to build high-fidelity interatomic potentials to bridge the gap between first-principles calculations and molecular dynamics simulations. Second, machine learning can be used to study the correlation between thermal conductivity and other properties for high-throughput materials screening. Finally, machine learning is a powerful tool for structural design to achieve target thermal conductance or thermal conductivity.
2108.12945v2
2020-12-02
An Improved Iterative Neural Network for High-Quality Image-Domain Material Decomposition in Dual-Energy CT
Dual-energy computed tomography (DECT) has been widely used in many applications that need material decomposition. Image-domain methods directly decompose material images from high- and low-energy attenuation images, and thus, are susceptible to noise and artifacts on attenuation images. The purpose of this study is to develop an improved iterative neural network (INN) for high-quality image-domain material decomposition in DECT, and to study its properties. We propose a new INN architecture for DECT material decomposition. The proposed INN architecture uses distinct cross-material convolutional neural network (CNN) in image refining modules, and uses image decomposition physics in image reconstruction modules. The distinct cross-material CNN refiners incorporate distinct encoding-decoding filters and cross-material model that captures correlations between different materials. We study the distinct cross-material CNN refiner with patch-based reformulation and tight-frame condition. Numerical experiments with extended cardiactorso (XCAT) phantom and clinical data show that the proposed INN significantly improves the image quality over several image-domain material decomposition methods, including a conventional model-based image decomposition (MBID) method using an edge-preserving regularizer, a recent MBID method using pre-learned material-wise sparsifying transforms, and a noniterative deep CNN method. Our study with patch-based reformulations reveals that learned filters of distinct cross-material CNN refiners can approximately satisfy the tight-frame condition.
2012.01986v4
2023-10-03
Estimating viscoelastic, soft material properties using a modified Rayleigh cavitation bubble collapse time
Accurate determination of high strain rate (> 10^3 1/s) constitutive properties of soft materials remains a formidable challenge. Albeit recent advancements among experimental techniques, in particular inertial microcavitation rheometry (IMR), the intrinsic requirement to visualize the bubble cavitation dynamics has limited its application to nominally transparent materials. Here, in an effort to address this challenge and to expand the experimental capability of IMR to optically opaque materials, we investigated whether one could use the acoustic signature of the time interval between bubble nucleation and collapse, characterized as the bubble collapse time, to infer the viscoelastic material properties without being able to image the bubble directly in the tissue. By introducing a modified Rayleigh collapse time for soft materials, which is strongly dependent on the stiffness of the material at hand, we show that, in principle, one can obtain an order of magnitude or better estimate of the viscoelastic material properties of the soft material under investigation. Using a newly developed energy-based theoretical framework, we show that for materials stiffer than 10 kPa the bubble collapse time during a single bubble cavitation event can provide quantitative and meaningful information about the constitutive properties of the material at hand. For very soft materials (i.e., shear modulus less than 10 kPa) our theory shows that unless the collapse time measurement has very high precision and low uncertainties, the material property estimates based on the bubble collapse time only will not be accurate and require visual resolution of the full cavitation kinematics.
2310.02475v1
2012-08-31
Ionization by bulk heating of electrons in capacitive radio frequency atmospheric pressure microplasmas
Electron heating and ionization dynamics in capacitively coupled radio frequency (RF) atmospheric pressure microplasmas operated in helium are investigated by Particle in Cell simulations and semi-analytical modeling. A strong heating of electrons and ionization in the plasma bulk due to high bulk electric fields are observed at distinct times within the RF period. Based on the model the electric field is identified to be a drift field caused by a low electrical conductivity due to the high electron-neutral collision frequency at atmospheric pressure. Thus, the ionization is mainly caused by ohmic heating in this "Omega-mode". The phase of strongest bulk electric field and ionization is affected by the driving voltage amplitude. At high amplitudes, the plasma density is high, so that the sheath impedance is comparable to the bulk resistance. Thus, voltage and current are about 45{\deg} out of phase and maximum ionization is observed during sheath expansion with local maxima at the sheath edges. At low driving voltages, the plasma density is low and the discharge becomes more resistive resulting in a smaller phase shift of about 4{\deg}. Thus, maximum ionization occurs later within the RF period with a maximum in the discharge center. Significant analogies to electronegative low pressure macroscopic discharges operated in the Drift-Ambipolar mode are found, where similar mechanisms induced by a high electronegativity instead of a high collision frequency have been identified.
1208.6519v2
2022-01-13
High-temperature superconductivity in hydrides: experimental evidence and details
Since the discovery of superconductivity at 200 K in H3S [1] similar or higher transition temperatures, Tcs, have been reported for various hydrogen-rich compounds under ultra-high pressures [2]. Superconductivity was experimentally proved by different methods, including electrical resistance, magnetic susceptibility, optical infrared, and nuclear resonant scattering measurements. The crystal structures of superconducting phases were determined by X-ray diffraction. Numerous electrical transport measurements demonstrate the typical behaviour of a conventional phonon-mediated superconductor: zero resistance below Tc, the shift of Tc to lower temperatures under external magnetic fields, and pronounced isotope effect. Remarkably, the results are in good agreement with the theoretical predictions, which describe superconductivity in hydrides within the framework of the conventional BCS theory. However, despite this acknowledgment, experimental evidence for the superconducting state in these compounds has recently been treated with criticism [3, 4], which apparently stems from misunderstanding and misinterpretation of complicated experiments performed under very high pressures. Here, we describe in greater detail the experiments revealing high-temperature superconductivity in hydrides under high pressures. We show that the arguments against superconductivity [3, 4] can be either refuted or explained. The experiments on the high-temperature superconductivity in hydrides clearly contradict the theory of hole superconductivity [4] and eliminate it [3].
2201.05137v1
2024-01-15
High Frequency Response of Volatile Memristors
In this theoretical study, we focus on the high-frequency response of the electrothermal NbO2-Mott threshold switch, a real-world electronic device, which has been proved to be relevant in several applications and is classified as a volatile memristor. Memristors of this kind, have been shown to exhibit distinctive non-linear behaviors crucial for cutting-edge neuromorphic circuits. In accordance with well-established models for these devices, their resistances depend on their body temperatures, which evolve over time following Newton's Law of Cooling. Here, we demonstrate that HP's NbO2-Mott memristor can manifest up to three distinct steady-state oscillatory behaviors under a suitable high-frequency periodic voltage input, showcasing increased versatility despite its volatile nature. Additionally, when subjected to a high-frequency periodic voltage signal, the device body temperature oscillates with a negligible peak-to-peak amplitude. Since, the temperature remains almost constant over an input cycle, the devices under study behave as linear resistors during each input cycle. Based on these insights, this paper presents analytical equations characterizing the response of the NbO2-Mott memristor to high-frequency voltage inputs, demarcating regions in the state space where distinct initial conditions lead to various asymptotic oscillatory behaviors. Importantly, the mathematical methods introduced in this manuscript are applicable to any volatile electrothermal resistive switch. Additionally, this paper presents analytical equations that accurately reproduce the temperature time-waveform of the studied device during both its transient and steady-state phases when subjected to a zero-mean sinusoidal voltage input oscillating in the high-frequency limit.
2401.10924v1
2022-12-05
Unveiling the complex structure-property correlation of defects in 2D materials based on high throughput datasets
Modification of physical properties of materials and design of materials with on-demand characteristics is at the heart of modern technology. Rare application relies on pure materials--most devices and technologies require careful design of materials properties through alloying, creating heterostructures of composites or controllable introduction of defects. At the same time, such designer materials are notoriously difficult for modelling. Thus, it is very tempting to apply machine learning methods for such systems. Unfortunately, there is only a handful of machine learning-friendly material databases available these days. We develop a platform for easy implementation of machine learning techniques to materials design and populate it with datasets on pristine and defected materials. Here we describe datasets of defects in represented 2D materials such as MoS2, WSe2, hBN, GaSe, InSe, and black phosphorous, calculated using DFT. Our study provides a data-driven physical understanding of complex behaviors of defect properties in 2D materials, holding promise for a guide to the development of efficient machine learning models. In addition, with the increasing enrollment of datasets, our database could provide a platform for designing of materials with predetermined properties.
2212.02110v1
2023-02-16
GAASP: Genetic Algorithm Based Atomistic Sampling Protocol for High-Entropy Materials
High-Entropy Materials are composed of multiple elements on comparatively simpler lattices. Due to the multicomponent nature of such materials, the atomic scale sampling is computationally expensive due to the combinatorial complexity. We propose a genetic algorithm based methodology for sampling such complex chemically-disordered materials. Genetic Algorithm based Atomistic Sampling Protocol (GAASP) variants can generate low and well as high-energy structures. GAASP low-energy variant in conjugation with metropolis criteria avoids the premature convergence as well as ensures the detailed balance condition. GAASP can be employed to generate the low-energy structures for thermodynamic predictions as well as diverse structures can be generated for machine learning applications.
2302.08101v1
2022-10-24
Quantifying the performance of machine learning models in materials discovery
The predictive capabilities of machine learning (ML) models used in materials discovery are typically measured using simple statistics such as the root-mean-square error (RMSE) or the coefficient of determination ($r^2$) between ML-predicted materials property values and their known values. A tempting assumption is that models with low error should be effective at guiding materials discovery, and conversely, models with high error should give poor discovery performance. However, we observe that no clear connection exists between a "static" quantity averaged across an entire training set, such as RMSE, and an ML property model's ability to dynamically guide the iterative (and often extrapolative) discovery of novel materials with targeted properties. In this work, we simulate a sequential learning (SL)-guided materials discovery process and demonstrate a decoupling between traditional model error metrics and model performance in guiding materials discoveries. We show that model performance in materials discovery depends strongly on (1) the target range within the property distribution (e.g., whether a 1st or 10th decile material is desired); (2) the incorporation of uncertainty estimates in the SL acquisition function; (3) whether the scientist is interested in one discovery or many targets; and (4) how many SL iterations are allowed. To overcome the limitations of static metrics and robustly capture SL performance, we recommend metrics such as Discovery Yield ($DY$), a measure of how many high-performing materials were discovered during SL, and Discovery Probability ($DP$), a measure of likelihood of discovering high-performing materials at any point in the SL process.
2210.13587v1
2024-05-14
An Interoperable Multi Objective Batch Bayesian Optimization Framework for High Throughput Materials Discovery
In this study, we introduce a groundbreaking framework for materials discovery, we efficiently navigate a vast phase space of material compositions by leveraging Batch Bayesian statistics in order to achieve specific performance objectives. This approach addresses the challenge of identifying optimal materials from an untenably large array of possibilities in a reasonable timeframe with high confidence. Crucially, our batchwise methods align seamlessly with existing material processing infrastructure for synthesizing and characterizing materials. By applying this framework to a specific high entropy alloy system, we demonstrate its versatility and robustness in optimizing properties like strain hardening, hardness, and strain rate sensitivity. The fact that the Bayesian model is adept in refining and expanding the property Pareto front highlights its broad applicability across various materials, including steels, shape memory alloys, ceramics, and composites. This study advances the field of materials science and sets a new benchmark for material discovery methodologies. By proving the effectiveness of Bayesian optimization, we showcase its potential to redefine the landscape of materials discovery.
2405.08900v1
2023-02-19
Resistance Maintained in Digital Organisms despite Guanine/Cytosine-Based Fitness Cost and Extended De-Selection: Implications to Microbial Antibiotics Resistance
Antibiotics resistance has caused much complication in the treatment of diseases, where the pathogen is no longer susceptible to specific antibiotics and the use of such antibiotics are no longer effective for treatment. A recent study that utilizes digital organisms suggests that complete elimination of specific antibiotic resistance is unlikely after the disuse of antibiotics, assuming that there are no fitness costs for maintaining resistance once resistance are established. Fitness cost are referred to as reaction to change in environment, where organism improves its' abilities in one area at the expense of the other. Our goal in this study is to use digital organisms to examine the rate of gain and loss of resistance where fitness costs have incurred in maintaining resistance. Our results showed that GC-content based fitness cost during de-selection by removal of antibiotic-induced selective pressure portrayed similar trends in resistance compared to that of no fitness cost, at all stages of initial selection, repeated de-selection and re-introduction of selective pressure. Paired t-test suggested that prolonged stabilization of resistance after initial loss is not statistically significant for its difference to that of no fitness cost. This suggests that complete elimination of specific antibiotics resistance is unlikely after the disuse of antibiotics despite presence of fitness cost in maintaining antibiotic resistance during the disuse of antibiotics, once a resistant pool of micro-organism has been established.
2302.13897v1
1998-04-16
Reconnection via the Tearing Instability
We discuss the role of tearing instabilities in magnetic reconnection. In three dimensions this instability leads to the formation of strong Alfvenic waves that remove plasma efficiently from the reconnection layer. As a result the instability proceeds at high rates while staying close to the linear regime. Our calculations show that for a resistive fluid the reconnection speed scales as the product of the Alfven speed V_A over the magnetic Reynolds number to the power -0.3. In the limit of vanishing resistivity, tearing modes proceed at a non-zero rate, driven by the electron inertia term, giving rise to a reconnection speed V_A (c/\omega_p L_x)^{3/5}, where \omega_p is the plasma frequency and L_x is the transverse scale of the reconnection layer. Formally this solves the problem of fast reconnection, but in practice this reconnection speed is small.
9804166v1
2006-06-15
Tearing instability in relativistic magnetically dominated plasmas
Many astrophysical sources of high energy emission, such as black hole magnetospheres, superstrongly magnetized neutron stars (magnetars), and probably relativistic jets in Active Galactic Nuclei and Gamma Ray Bursts involve relativistically magnetically dominated plasma. In such plasma the energy density of magnetic field greatly exceeds the thermal and the rest mass energy density of particles. Therefore the magnetic field is the main reservoir of energy and its dissipation may power the bursting emission from these sources, in close analogy to Solar flares. One of the principal dissipative instabilities that may lead to release of magnetic energy is the tearing instability. In this paper we study, both analytically and numerically, the development of tearing instability in relativistically magnetically-dominated plasma using the framework of resistive magnetodynamics. We confirm and elucidate the previously obtained result on the growth rate of the tearing mode: the shortest growth time is the same as in the case of classical non-relativistic MHD, namely $\tau =\sqrt{\tau_a \tau_d}$ where $\tau_a$ is the \Alfven crossing time and $\tau_d$ is the resistive time of a current layer.
0606375v2
1994-11-17
Hydrodynamic electron flow in high-mobility wires
Hydrodynamic electron flow is experimentally observed in the differential resistance of electrostatically defined wires in the two-dimensional electron gas in (Al,Ga)As heterostructures. In these experiments current heating is used to induce a controlled increase in the number of electron-electron collisions in the wire. The interplay between the partly diffusive wire-boundary scattering and the electron-electron scattering leads first to an increase and then to a decrease of the resistance of the wire with increasing current. These effects are the electronic analog of Knudsen and Poiseuille flow in gas transport, respectively. The electron flow is studied theoretically through a Boltzmann transport equation, which includes impurity, electron-electron, and boundary scattering. A solution is obtained for arbitrary scattering parameters. By calculation of flow profiles inside the wire it is demonstrated how normal flow evolves into Poiseuille flow. The boundary-scattering parameters for the gate-defined wires can be deduced from the magnitude of the Knudsen effect. Good agreement between experiment and theory is obtained.
9411067v1
1995-12-15
Nonlocal conductivity in the vortex-liquid regime
We investigate the nonlocal conductivity calculated from the time-dependent Ginzburg-Landau equation. When the fluctuations of the vector potential are negligible, the high-temperature (Gaussian) and low-temperature (flux-flow) forms of the uniform conductivity withan an ab plane (sigma_yy) are essentially identical. We find to what extent the nonlocal conductivity shares this feature. The results suggest that for pure samples in theses regimes the length scales of the nonlocal resistivity, rho_yy(y-y',z-z'), remain short-ranged in the y and z directions in contrast to the assumptions made by the hydrodynamic modelling of the multiterminal transport measurements. On the other hand, the resistivity is seen to have a long length scale in the x direction rho_yy(x-x'). The implications for the interpretation of recent experiments are discussed.
9512121v1
1996-02-13
Giant Magneto-Resistance in Nd$_{0.7}$Sr$_{0.3}$MnO$_3$ at Optical Frequencies
The optical properties of Nd$_{0.7}$Sr$_{0.3}$MnO$_3$ thin films have been studied from 5 meV to 25 meV and from 0.25 eV to 3 eV, at temperatures from 15 K to 300 K and magnetic fields up to 8.9 T. A large transfer of spectral weight from high energy to low energy occurs as the temperature is decreased below 180 K, where the dc resistivity peaks, or as the magnetic field is increased. The optical data are found to be consistent with models that include both the double exchange interaction and the dynamic Jahn-Teller effect on the Mn$^{3+}$ e$_g$ levels.
9602075v1
1997-09-01
Superconductor-Insulator Transitions and Insulators with Localized Pairs
Two experiments are described which are related to the problem of localized Cooper pairs. Magnetic-field-tuned superconductor-insulator transition was studied in amorphous In--O films with onset of the superconducting transition in zero field near 2 K. Experiments performed in the temperature range T>0.3 K indicate that at the critical field, B=B_c, the first derivative of the resistance dR/dT is non-zero at T=0 and hence the scaling relations should be written in more general form. Study of the magnetotransport of high-resistance metastable alloy Cd-Sb on the insulating side of the superconductor-insulator transition revealed below 0.1 K a shunting condiction mechanism in addition to usual one-particle hopping. Possibility of pair hopping is discussed.
9709017v1
1997-09-02
Spontaneous DC Current Generation in a Resistively Shunted Semiconductor Superlattice Driven by a TeraHertz Field
We study a resistively shunted semiconductor superlattice subject to a high-frequency electric field. Using a balance equation approach that incorporates the influence of the electric circuit, we determine numerically a range of amplitude and frequency of the ac field for which a dc bias and current are generated spontaneously and show that this region is likely accessible to current experiments. Our simulations reveal that the Bloch frequency corresponding to the spontaneous dc bias is approximately an integer multiple of the ac field frequency.
9709026v1
1997-10-15
Normal-State Hall Effect and the Insulating Resistivity of High-T_c Cuprates at Low Temperatures
The normal-state Hall coefficient R_H and the in-plane resistivity \rho_{ab} are measured in La-doped Bi_{2}Sr_{2}CuO_{y} (T_c \simeq 13 K) single crystals and La_{2-x}Sr_{x}CuO_{4} thin films by suppressing superconductivity with 61-T pulsed magnetic fields. In contrast to data above T_c, the R_H below \sim 10 K shows little temperature dependence in all the samples measured, irrespective of whether \rho_{ab} exhibits insulating or metallic behavior. Thus, whatever physical mechanism gives rise to insulating behavior in the low-temperature normal state, it leaves the Hall conductivity relatively unchanged.
9710155v1
1997-12-19
Nature of the Low Field Transition in the Mixed State of High Temperature Superconductors
We have numerically studied the statics and dynamics of a model three-dimensional vortex lattice at low magnetic fields. For the statics we use a frustrated 3D XY model on a stacked triangular lattice. We model the dynamics as a coupled network of overdamped resistively-shunted Josephson junctions with Langevin noise. At low fields, there is a weakly first-order phase transition, at which the vortex lattice melts into a line liquid. Phase coherence parallel to the field persists until a sharp crossover, conceivably a phase transition, near $T_{\ell} > T_m$ which develops at the same temperature as an infinite vortex tangle. The calculated flux flow resistivity in various geometries near $T=T_{\ell}$ closely resembles experiment. The local density of field induced vortices increases sharply near $T_\ell$, corresponding to the experimentally observed magnetization jump. We discuss the nature of a possible transition or crossover at $T_\ell$(B) which is distinct from flux lattice melting.
9712246v2
1998-06-19
Resistance behavior near the magnetic-field-tuned quantum transition in superconducting amorphous In-O films
We have studied the magnetic-field-tuned superconductivity destroying quantum transition in amorphous In-O films with the onset of superconductivity in zero field at about 2 K. At temperatures down to 30 mK the critical resistance R_c=R(T,B_c) has been found to change approximately linearly with temperature, which is in contradiction to a standard description where zero slope dR_c/dT = 0 is assumed near T=0. To make the data R(T,B) collapse in the vicinity of transition against scaling variable (B-B_c)/T^{1/y}, one has either to allow for the intrinsic temperature dependence of R_c or to postulate the critical field B_c to be temperature-dependent B_c(T)-B_c(0)~T^{1+1/y}. We find that the state on the high-field side of the transition can be both insulating and metallic and we determine the critical index y=1.2.
9806244v2
1998-11-19
Nonlocal Effects on the Surface Resistance of High Temperature Superconductors with (100) and (110) Surfaces
The low temperature surface resistance R_s of d-wave superconductors is calculated as function of frequency assuming normal state quasiparticle mean free paths l in excess of the penetration depth. Results depend strongly on the geometric configuration. In the clean limit, two contributions to R_s with different temperature dependencies are identified: photon absorption by quasiparticles and pair breaking. The size of nonlocal corrections, which can be positive or negative depending on frequency decreases for given l as the scattering phase shift \delta_N is increased. However, except in the unitarity limit \delta_N = 0.5 \pi, nonlocal effects should be observable.
9811291v2
1998-12-03
Residual resistivity ratio and its relation to the positive magnetoresistance behavior in natural multilayer LaMn2Ge2; relevance to artificial multilayer physics
Results of low temperature magnetoresistance ($\Delta\rho/\rho$) and isothermal magnetization (M) measurements on polycrystalline ferromagnetic (T_C close to 300 K) natural multilayers, LaMn_{2+x}Ge_{2-y}Si_y, are reported. It is found that the samples with large residual resistivity ratio, $\rho(300K)/\rho(4.2K)$, exhibit large positive magnetoresistance at high magnetic fields. The Kohler's rule is not obeyed in these alloys. In addition, at 4.5 K, there is a tendency towards linear variation of $\Delta\rho/\rho$ with magnetic field with increasing $\rho(300K)/\rho(4.2K$); however, the field dependence of $\Delta\rho/\rho$ does not track that of M, thereby suggesting that the magnetoresistance originates from non-magnetic layers. It is interesting that these experimental findings on bulk polycrystals are qualitatively similar to what is seen in artificially grown multilayer systems recently.
9812052v1
1998-12-21
Non-Universal Power Law of the "Hall Scattering Rate" in a Single-Layer Cuprate Bi_{2}Sr_{2-x}La_{x}CuO_{6}
In-plane resistivity \rho_{ab}, Hall coefficient, and magnetoresistance (MR) are measured in a series of high-quality Bi_{2}Sr_{2-x}La_{x}CuO_{6} crystals with various carrier concentrations, from underdope to overdope. Our crystals show the highest T_c (33 K) and the smallest residual resistivity ever reported for Bi-2201 at optimum doping. It is found that the temperature dependence of the Hall angle obeys a power law T^n with n systematically decreasing with increasing doping, which questions the universality of the Fermi-liquid-like T^2 dependence of the "Hall scattering rate". In particular, the Hall angle of the optimally-doped sample changes as T^{1.7}, not as T^2, while \rho_{ab} shows a good T-linear behavior. The systematics of the MR indicates an increasing role of spin scattering in underdoped samples.
9812334v1
1999-08-30
From an antiferromagnet to a heavy-fermion system: CeCu5Au under pressure
The electrical resistivity rho(T) of single crystalline CeCu_5Au under pressure was measured in the temperature range 30mK<T<300K. Pressure suppresses the antiferromagnetic order (T_N=2.35K at ambient pressure) and drives the system into a non-magnetic heavy-fermion state above P_c=4.1(3)GPa. The electrical resistivity shows a deviation from a T^2 dependence of a Fermi-liquid in the pressure range 1.8GPa<=P<=5.15GPa. The rho(T)-curves can be compared with those of CeCu_{6-x}Au_x at different Au concentrations. Just before the long-range magnetic order vanishes, a possibly superconducting phase (at T_c=0.1K and P=3.84GPa) occurs, pointing to a coexistence of antiferromagnetic order and superconductivity. This new phase is only seen in a narrow pressure interval Delta P=0.4GPa.
9908442v1
1999-09-01
Tunneling measurements of the coulomb pseudogap in a two-dimensional electron system in a quantizing magnetic field
We study the Coulomb pseudogap for tunneling into the two-dimensional electron system of high-mobility (Al,Ga)As/GaAs heterojunctions subjected to a quantizing magnetic field at filling factor $\nu \leq 1$. Tunnel current-voltage characteristics show that for the double maximum observed in the tunnel resistance at $\nu \approx 1$ the pseudogap is linear in energy with a slope that depends on filling factor, magnetic field, and temperature. We give a qualitative account of the filling factor dependence of the pseudogap slope and we confirm the recently reported appearance of another relaxation time for tunneling at $\nu \approx 1$. For the tunnel resistance peaks at $\nu=1/3$ and 2/3 a completely different behaviour of the current-voltage curves is found and interpreted as manifestation of the fractional gap.
9909011v2
1999-09-02
Transport properties of strongly correlated metals:a dynamical mean-field approach
The temperature dependence of the transport properties of the metallic phase of a frustrated Hubbard model on the hypercubic lattice at half-filling are calculated. Dynamical mean-field theory, which maps the Hubbard model onto a single impurity Anderson model that is solved self-consistently, and becomes exact in the limit of large dimensionality, is used. As the temperature increases there is a smooth crossover from coherent Fermi liquid excitations at low temperatures to incoherent excitations at high temperatures. This crossover leads to a non-monotonic temperature dependence for the resistance, thermopower, and Hall coefficient, unlike in conventional metals. The resistance smoothly increases from a quadratic temperature dependence at low temperatures to large values which can exceed the Mott-Ioffe-Regel value, hbar a/e^2 (where "a" is a lattice constant) associated with mean-free paths less than a lattice constant. Further signatures of the thermal destruction of quasiparticle excitations are a peak in the thermopower and the absence of a Drude peak in the optical conductivity. The results presented here are relevant to a wide range of strongly correlated metals, including transition metal oxides, strontium ruthenates, and organic metals.
9909041v1
1999-09-24
Weak Localization Effect in Superconductors by Radiation Damage
Large reductions of the superconducting transition temperature $T_{c}$ and the accompanying loss of the thermal electrical resistivity (electron-phonon interaction) due to radiation damage have been observed for several A15 compounds, Chevrel phase and Ternary superconductors, and $\rm{NbSe_{2}}$ in the high fluence regime. We examine these behaviors based on the recent theory of weak localization effect in superconductors. We find a good fitting to the experimental data. In particular, weak localization correction to the phonon-mediated interaction is derived from the density correlation function. It is shown that weak localization has a strong influence on both the phonon-mediated interaction and the electron-phonon interaction, which leads to the universal correlation of $T_{c}$ and resistance ratio.
9909358v1
2000-01-26
Antiferromagnetic Alignment and Relaxation Rate of Gd Spins in the High Temperature Superconductor GdBa_2Cu_3O_(7-delta)
The complex surface impedance of a number of GdBa$_2$Cu$_3$O$_{7-\delta}$ single crystals has been measured at 10, 15 and 21 GHz using a cavity perturbation technique. At low temperatures a marked increase in the effective penetration depth and surface resistance is observed associated with the paramagnetic and antiferromagnetic alignment of the Gd spins. The effective penetration depth has a sharp change in slope at the N\'eel temperature, $T_N$, and the surface resistance peaks at a frequency dependent temperature below 3K. The observed temperature and frequency dependence can be described by a model which assumes a negligibly small interaction between the Gd spins and the electrons in the superconducting state, with a frequency dependent magnetic susceptibility and a Gd spin relaxation time $\tau_s $ being a strong function of temperature. Above $T_N$, $\tau_s$ has a component varying as $1 / (T - T_N)$, while below $T_N$ it increases $\sim T^{-5}$.
0001379v1
2000-11-20
Theory of the Hall Coefficient and the Resistivity on the Layered Organic Superconductors κ-(BEDT-TTF)
In the organic superconducting \kappa-(BEDT-TTF) compounds, various transport phenomena exhibit striking non-Fermi liquid behaviors, which should be the important clues to understanding the electronic state of this system. Especially, the Hall coefficient ($R_H$) shows Curie-Weiss type temperature dependence, which is similar to that of high-Tc cuprates. In this paper, we study a Hubbard model on an anisotropic triangular lattice at half filling, which is an effective model of \kappa-(BEDT-TTF) compounds. Based on the fluctuation-exchange (FLEX) approximation, we calculate the resistivity ($\rho$) and $R_H$ by taking account of the vertex corrections for the current, which is necessary for satisfying the conservation laws. Our theoretical results of $R_H$ and $cot(\theta_H)$ explain the experimental behaviors well, which are unable to be reproduced by the conventional Boltzmann transport approximation. Moreover, we extend the standard Eliashberg's transport theory and derive the more precise formula for the conductivity, which becomes important at higher temperatures.
0011324v2
2000-12-07
Quantum Tunneling of the Order Parameter in Superconducting Nanowires
Quantum tunneling of the superconducting order parameter gives rise to the phase slippage process which controls the resistance of ultra-thin superconducting wires at sufficiently low temperatures. If the quantum phase slip rate is high, superconductivity is completely destroyed by quantum fluctuations and the wire resistance never decreases below its normal state value. We present a detailed microscopic theory of quantum phase slips in homogeneous superconducting nanowires. Focusing our attention on relatively short wires we evaluate the quantum tunneling rate for phase slips, both the quasiclassical exponent and the pre-exponential factor. In very thin and dirty metallic wires the effect is shown to be clearly observable even at $T \to 0$. Our results are fully consistent with recent experimental findings [A. Bezryadin, C.N. Lau, and M. Tinkham, Nature {\bf 404}, 971 (2000)] which provide direct evidence for the effect of quantum phase slips.
0012104v1
2001-02-20
Unusual Properties of Anisotropic Hall Gas: Implication to Metrology of the Integer Quantum Hall Effect
Physical properties of anisotropic compressible quantum Hall states and their implications to integer quantum Hall effect are studied based on a mean field theory on the von Neumann lattice. It is found that the Hall gas has unusual thermodynamic properties such as negative pressure and negative compressibility and unusual transport properties. Transport properties and density profile of Hall gas states at half fillings agree with those of anisotropic states discovered experimentally in higher Landau levels. Hall gas formed in the bulk does not spread but shrinks, owing to negative pressure, and a strip of Hall gas gives abnormal electric transport at finite temperature. Conductances at finite temperature and finite injected current agree with recent experiments on collapse and breakdown phenomena of the integer quantum Hall effect. As a byproduct, existence of new quantum Hall regime, dissipative quantum Hall regime, in which Hall resistance is quantized exactly even in the system of small longitudinal resistance is derived.
0102347v3
2001-08-03
Electrical Resistivity Anisotropy from Self-Organized One-Dimensionality in High-Temperature Superconductors
We investigate the manifestation of the stripes in the in-plane resistivity anisotropy in untwinned single crystals of La_{2-x}Sr_{x}CuO_{4} (x = 0.02 - 0.04) and YBa_{2}Cu_{3}O_{y} (y = 6.35 - 7.0). It is found that both systems show strongly temperature-dependent in-plane anisotropy in the lightly hole-doped region and that the anisotropy in YBa_{2}Cu_{3}O_{y} grows with decreasing y below about 6.60 despite the decreasing orthorhombicity, which gives most direct evidence that electrons self-organize into a macroscopically anisotropic state. The transport is found to be easier along the direction of the spin stripes already reported, demonstrating that the stripes are intrinsically conducting in cuprates.
0108053v2
2001-09-21
Microwave Power, DC Magnetic Field, Frequency and Temperature Dependence of the Surface Resistance of MgB2
The microwave power, dc magnetic field, frequency and temperature dependence of the surface resistance of MgB2 films and powder samples were studied. Sample quality is relatively easy to identify by a number of characteristics, the most clear being the breakdown in the omega squared law for poor quality samples. Analysis of the experimental data suggests the most attractive procedure for high quality film growth for technical applications.
0109397v1
2002-01-01
Memory Effects in Electron Transport in Si Inversion Layers in the Dilute Regime: Individuality versus Universality
In order to separate the universal and sample-specific effects in the conductivity of high-mobility Si inversion layers, we studied the electron transport in the same device after cooling it down to 4K at different fixed values of the gate voltage V^{cool}. Different V^{cool} did not modify significantly either the momentum relaxation rate or the strength of electron-electron interactions. However, the temperature dependences of the resistance and the magnetoresistance in parallel magnetic fields, measured in the vicinity of the metal-insulator transition in 2D, carry a strong imprint of individuality of the quenched disorder determined by V^{cool}. This demonstrates that the observed transition between ``metallic'' and insulating regimes involves both, universal effects of electron-electron interaction and sample-specific effects. Far away from the transition, at lower carrier densities and lower resistivities < 0.1 h/e^2, the transport and magnetotransport become nearly universal.
0201001v1
2002-02-08
Anisotropic Superconducting Properties of MgB2 Single Crystals
In-plane electrical transport properties of MgB2 single crystals grown under high pressure of 4-6 GPa and temperature of 1400-1700oC in Mg-B-N system have been measured. For all specimens we found sharp superconducting transition around 38.1-38.3K with transition width within 0.2-0.3K. Estimated resistivity value at 40K is about 1 mkOhmcm and resistivity ratio R(273K)/R(40K) of about 4.9. Results of measurements in magnetic field up to 5.5T perpendicular to Mg and B planes and up to 9T in parallel orientation show temperature dependent anisotropy of the upper critical field with anisotropy ratio increasing from 2.2 close to Tc up to about 3 below 30K. Strong deviation of the angular dependence of Hc2 from anisotropic mass model has been also found.
0202133v1
2002-03-27
Transport critical current, anisotropy, irreversibility fields and exponential n factors in Fe sheathed MgB2 tapes
The influence of the initial MgB2 grain size on critical current density, upper critical fields and irreversibility has been studied on Fe sheathed monofilamentary MgB2 tapes prepared by the Powder-In-Tube technique. The effect of the reduction of MgB2 grain size by ball milling was mainly to enhance both the critical current density, jc, and the irreversibility field, while the upper critical field remained unchanged. The anisotropy ratio of the upper critical field between magnetic fields parallel and perpendicular the tape surface was determined to 1.3, reflecting a deformation induced texture. A good agreement has been found between resistive and inductive jc values, measured at various temperatures. At 25K and 1 T, jc values close to 105 A/cm2 were measured. The exponential n factor of the resistive transition was found to be quite high at low fields, and decrease linearly from 60 at 4T to 10 at 8.5T.
0203551v1
2002-05-10
Universal Behavior of the Resistance Noise across the Metal-Insulator Transition in Silicon Inversion Layers
Studies of low-frequency resistance noise show that the glassy freezing of the two-dimensional (2D) electron system in the vicinity of the metal-insulator transition occurs in all Si inversion layers. The size of the metallic glass phase, which separates the 2D metal and the (glassy) insulator, depends strongly on disorder, becoming extremely small in high-mobility samples. The behavior of the second spectrum, an important fourth-order noise statistic, indicates the presence of long-range correlations between fluctuators in the glassy phase, consistent with the hierarchical picture of glassy dynamics.
0205226v2