publicationDate stringlengths 1 2.79k | title stringlengths 1 36.5k ⌀ | abstract stringlengths 1 37.3k ⌀ | id stringlengths 9 47 |
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2014-12-24 | Impact of dopant species on the interfacial trap density and mobility in amorphous In-X-Zn-O solution-processed thin-film transistors | Alloying of In/Zn oxides with various X atoms stabilizes the IXZO structures
but generates electron traps in the compounds, degrading the electron mobility.
To assess whether the latter is linked to the oxygen affinity or the ionic
radius, of the X element, several IXZO samples are synthesized by the sol-gel
process, w... | 1412.7710v1 |
2015-01-06 | Coexistence of Electron-Glass Phase and Persistent Photoconductivity in GeSbTe Compounds | It is demonstrated that persistent-photoconductivity (PPC), well-studied in
lightly-doped semiconductors, is observable in GeSbTe compounds using infrared
excitation at cryogenic temperatures. The low level of energy-flux necessary to
induce an appreciable effect seems surprising given the high
carrier-concentration n ... | 1501.01163v2 |
2015-01-13 | Weyl semimetal from spontaneous inversion symmetry breaking in pyrochlore oxides | We study the electronic properties of strongly spin-orbit coupled electrons
on the elastic pyrochlore lattice. Akin to the Peierls transition in
one-dimensional systems, the coupling of the lattice to the electronic degrees
of freedom can stabilize a spontaneous deformation of the crystal. This
deformation corresponds ... | 1501.03029v1 |
2015-01-21 | A Direct Symbolic Execution of SQL Code for Testing of Data-Oriented Applications | Symbolic execution is a technique which enables automatically generating test
inputs (and outputs) exercising a set of execution paths within a program to be
tested. If the paths cover a sufficient part of the code under test, the test
data offer a representative view of the program's actual behaviour, which
notably en... | 1501.05265v1 |
2015-01-26 | Pairbreaking effect of correlated impurities in a superfluid Fermi liquid | The conventional theory of superconducting alloys does not take into account
a discreet character of impurities. Experimental data for superfluid $^3$He in
aerogel and for some of high-$T_c$ superconductors reveal a significant
discrepancy between the observed temperatures $T_c$ of their transitions in the
superfluid o... | 1501.06399v1 |
2015-02-10 | Phase Transformations in Binary Colloidal Monolayers | Phase transformations can be difficult to characterize at the microscopic
level due to the inability to directly observe individual atomic motions. Model
colloidal systems, by contrast, permit the direct observation of individual
particle dynamics and of collective rearrangements, which allows for real-space
characteri... | 1502.02955v1 |
2015-02-16 | Nanoscale Determination of the Mass Enhancement Factor in the Lightly-Doped Bulk Insulator Lead Selenide | Bismuth chalcogenides and lead telluride/selenide alloys exhibit exceptional
thermoelectric properties which could be harnessed for power generation and
device applications. Since phonons play a significant role in achieving these
desired properties, quantifying the interaction between phonons and electrons,
which is e... | 1502.04694v1 |
2015-02-23 | How to Make Chord Correct | The Chord distributed hash table (DHT) is well-known and frequently used to
implement peer-to-peer systems. Chord peers find other peers, and access their
data, through a ring-shaped pointer structure in a large identifier space.
Despite claims of proven correctness, i.e., eventual reachability, previous
work has shown... | 1502.06461v2 |
2015-02-26 | Theoretical study of strain-dependent optical absorption in Stranski-Krastanov grown InAs/InGaAs/GaAs/AlGaAs quantum dots | A detailed theoretical study of the optical absorption in self-assembled
quantum dots is presented in this paper. A rigorous atomistic strain model as
well as a sophisticated electronic band structure model are used to ensure
accurate prediction of the optical transitions in these devices . The optimized
models present... | 1502.07726v1 |
2015-04-04 | Brillouin zone spin filtering mechanism of enhanced TMR and correlation effects in Co(0001)/h-BN/Co(0001) magnetic tunnel junction | The 'Brillouin zone spin filtering' mechanism of enhanced tunneling
magnetoresistance (TMR) is described for magnetic tunnel junctions (MTJ) and
studied on an example of the MTJ with hcp Co electrodes and hexagonal BN (h-BN)
spacer. Our calculations based on local density approximation of density
functional theory (LDA... | 1504.01017v1 |
2015-05-01 | Premartensite to martensite transition and its implications on the origin of modulation in Ni2MnGa ferromagnetic shape memory alloy | We present here results of temperature dependent high resolution synchrotron
x-ray powder diffraction study of sequence of phase transitions in Ni2MnGa. Our
results show that the incommensurate martensite phase results from the
incommensurate premartensite phase, and not from the austenite phase assumed in
the adaptive... | 1505.00119v3 |
2015-05-08 | Magnetic spin moment reduction in photoexcited ferromagnets through exchange interaction quenching: Beyond the rigid band approximation | The exchange interaction among electrons is one of the most fundamental
quantum mechanical interactions in nature and underlies any magnetic phenomena
from ferromagnetic ordering to magnetic storage. The current technology is
built upon a thermal or magnetic field, but a frontier is emerging to directly
control magneti... | 1505.01904v1 |
2015-05-20 | Subcritical excitation of the current-driven Tayler instability by super-rotation | It is known that in a hydrodynamic Taylor-Couette system uniform rotation or
a rotation law with positive shear ('super-rotation') are linearly stable. It
is also known that a conducting fluid under the presence of a sufficiently
strong axial electric-current becomes unstable against nonaxisymmetric
disturbances. It is... | 1505.05320v2 |
2015-06-09 | Formation and growth of shear bands in glasses: existence of an underlying directed percolation transition | The response of glasses to mechanical loading often leads to the formation of
inhomogeneous flow patterns that strongly affect materials properties. Among
them, shear bands are ubiquitous in a wide variety of materials, ranging from
soft matter systems to metallic alloys. Shear banding is associated with strain
localiz... | 1506.03049v2 |
2015-06-21 | Site-Specific Contributions to the Band Inversion in a Topological Crystalline Insulator | In a topological crystalline insulator (TCI) the inversion of the bulk
valence and conduction bands is a necessary condition to observe surface
metallic states. Solid solutions of Pb$_{1-x}$Sn$_x$Te have been shown to be
TCI, where band inversion occurs as a result of the band gap evolution upon
alloying with Sn. The o... | 1506.06328v1 |
2015-06-24 | Monte Carlo simulations of vector pseudospins for strains: Microstructures, and martensitic conversion times | We present systematic temperature-quench Monte Carlo simulations on
discrete-strain pseudospin model Hamiltonians to study microstructural
evolutions in 2D ferroelastic transitions with two-component vector order
parameters ($N_{OP}=2$). The zero value pseudospin is the single
high-temperature phase while the low-tempe... | 1506.07283v1 |
2015-06-29 | Influence of interphase anisotropy on lamellar eutectic growth patterns | It is well documented in many experiments that crystallographic effects play
an important role in the generation of two-phase patterns during the
solidification of eutectic alloys. In particular, in lamellar composites, large
patches of perfectly aligned lamellae are frequently observed. Moreover, the
growth direction ... | 1506.08893v1 |
2015-07-07 | Thermal Resonance Fusion | We first show a possible mechanism to create a new type of nuclear fusion,
thermal resonance fusion, i.e. low energy nuclear fusion with thermal resonance
of light nuclei or atoms, such as deuterium or tritium. The fusion of two light
nuclei has to overcome the Coulomb barrier between these two nuclei to reach up
to th... | 1507.01650v1 |
2015-07-07 | Influence of interstitial Mn on local structure and magnetism in Mn$_{1+δ}$Sb | We report x-ray total scattering and pair distribution function (PDF) studies
of the structural relaxation around interstitial manganese (Mn$_i$) in
ferromagnetic Mn$_{1+\delta}$Sb ($0.03 \le \delta \le 0.23$) alloys, guided by
density functional theory (DFT). Refinements to the experimental PDF using a
crystallographi... | 1507.01979v2 |
2015-07-09 | Stability of Two-Dimensional Iron-Carbides Suspended across Graphene Pores: First-principles Particle Swarm Optimization | Inspired by recent experimental realizations of two-dimensional (2D) metals
and alloys, we theoretically investigate the stability and electronic
properties of monolayer (ML) Fe-C compounds and pure Fe. According to our and
others theoretical results, the experiment [Science 343, 1228 (2014)] proposed
ML pure Fe square... | 1507.02418v2 |
2015-07-09 | Structural and mechanical properties of nitrogen-deficient cubic Cr-Mo-N and Cr-W-N systems | The tendency for nitrogen deficiency in cubic Cr-Mo-N and Cr-W-N solid
solutions is predicted by a comprehensive evaluation of the lattice spacing,
mixing thermodynamics, and elastic properties using first-principles
calculations and experimentally confirmed by means of X-ray diffraction. A
major conclusion is that the... | 1507.02738v1 |
2015-07-10 | Planetary and meteoritic Mg/Si and d30Si variations inherited from solar nebula chemistry | The bulk chemical compositions of planets are uncertain, even for major
elements such as Mg and Si. This is due to the fact that the samples available
for study all originate from relatively shallow depths. Comparison of the
stable isotope compositions of planets and meteorites can help overcome this
limitation. Specif... | 1507.02922v1 |
2015-07-14 | Ion irradiation effects on a magnetic Si/Ni/Si trilayer and lateral magnetic-nonmagnetic multistrip patterning by focused ion beam | Fabrication of a multistrip magnetic/nonmagnetic structure in a thin
sandwiched Ni layer [Si(5 nm)/Ni(10 nm)/Si] by a focused ion beam (FIB)
irradiation has been attempted. A control experiment was initially performed by
irradiation with a standard 30 keV Ga ion beam at various fluences. Analyses
were carried out by Ru... | 1507.03748v1 |
2015-07-20 | Thermodynamic theory of equilibrium fluctuations | The postulational basis of classical thermodynamics has been expanded to
incorporate equilibrium fluctuations. The main additional elements of the
proposed thermodynamic theory are the concept of quasi-equilibrium states, a
definition of non-equilibrium entropy, a fundamental equation of state in the
entropy representa... | 1507.05662v1 |
2015-07-23 | Magneto-transport in closed and open mesoscopic loop structures: A review | Magneto-transport properties in closed and open loop structures are carefully
reviewed within a tight-binding formalism. A novel mesoscopic phenomenon where
a non-vanishing current is observed in a conducting loop upon the application
of an Aharonov-Bohm flux $\phi$ and we explore its behavior in the aspects of
quantum... | 1507.06420v1 |
2015-08-05 | Giant negative thermal expansion covering room temperature in nanocrystalline GaNxMn3 | Materials with negative thermal expansion (NTE), which contract upon heating,
are of great interest both technically and fundamentally. Here, we report giant
NTE covering room temperature in mechanically milled antiperovksite GaNxMn3
compounds. The micrograin GaNxMn3 exhibits a large volume contraction at the
antiferro... | 1508.01063v1 |
2015-09-01 | Optical Properties of Mono-Dispersed AlGaN Nanowires in the Single-Prong Growth Mechanism | Growth of mono-dispersed AlGaN nanowires of ternary wurtzite phase is
reported using chemical vapour deposition technique in the vapour-liquid-solid
process. The role of distribution of Au catalyst nanoparticles on the size and
the shape of AlGaN nanowires are discussed. These variations in the morphology
of the nanowi... | 1509.00193v1 |
2015-09-18 | Band alignment of epitaxial SrTiO3 thin films with (LaAlO3)0.3-(Sr2AlTaO6)0.7 (001) | SrTiO$_{3}$ (STO) epitaxial thin films and heterostructures are of
considerable interest due to the wide range of functionalities they exhibit.
The alloy perovskite (LaAlO$_{3}$)$_{0.3}$-(Sr$_{2}$AlTaO$_{6}$)$_{0.7}$ (LSAT)
is commonly used as a substrate for these material structures due to its
structural compatibilit... | 1509.05714v1 |
2015-09-23 | Nernst-Ettingshausen effect at the trivial-nontrivial band ordering in topological crystalline insulator Pb1-xSnxSe | The transverse Nernst Ettingshausen (N-E) effect and electron mobility in
Pb$_{1-x}$Sn$_x$Se alloys are studied experimentally and theoretically as
functions of temperature and chemical composition in the vicinity of vanishing
energy gap $E_g$. The study is motivated by the recent discovery that, by
lowering the temper... | 1509.07052v2 |
2015-09-24 | Design and control of a soft, shape-changing, crawling robot | Soft materials have many important roles in animal locomotion and object
manipulation. In robotic applications soft materials can store and release
energy, absorb impacts, increase compliance and increase the range of possible
shape profiles using minimal actuators. The shape changing ability is also a
potential tool t... | 1509.07569v1 |
2015-10-07 | Pattern size in Gaussian fields from spinodal decomposition | We study the two-dimensional snake-like pattern that arises in phase
separation of alloys described by spinodal decomposition in the Cahn-Hilliard
model. These are somewhat universal patterns due to an overlay of
eigenfunctions of the Laplacian with a similar wave-number. Similar structures
appear in other models like ... | 1510.01967v3 |
2015-10-09 | Enhanced and Tunable Spin-Orbit Coupling in Tetragonally Strained Fe-Co-B Films | We have synthesized 20 nm thick films of tetragonally strained interstitial
Fe-Co-B alloys epitaxially grown on Au55Cu45 buffer layer. The strained axis is
perpendicular to the film plane and the corresponding lattice constant c is
enlarged with respect to the in-plane lattice parameter a. By adding the
interstitial bo... | 1510.02624v1 |
2015-10-17 | Ferrimagnetic nanostructures for magnetic memory bits | Increasing the magnetic data recording density requires reducing the size of
the individual memory elements of a recording layer as well as employing
magnetic materials with temperature-dependent functionalities. Therefore, it is
predicted that the near future of magnetic data storage technology involves a
combination ... | 1510.05087v1 |
2015-10-22 | Adaptive local basis set for Kohn-Sham density functional theory in a discontinuous Galerkin framework II: Force, vibration, and molecular dynamics calculations | Recently, we have proposed the adaptive local basis set for electronic
structure calculations based on Kohn-Sham density functional theory in a
pseudopotential framework. The adaptive local basis set is efficient and
systematically improvable for total energy calculations. In this paper, we
present the calculation of a... | 1510.06489v1 |
2015-10-25 | Incommensurate host-guest structures in compressed elements: Hume-Rothery effects as origin | Discovery of the incommensurate structure in the element Ba under pressure 15
years ago was followed by findings of a series of similar structures in other
compressed elements. Incommensurately modulated structures of the host-guest
type consist of a tetragonal host structure and a guest structure. The guest
structure ... | 1510.07242v1 |
2015-10-28 | Robustness of the $0 -π$ transition against compositional and structural ageing in S/F/S heterostructures | We have studied the temperature induced $0 -\pi $ thermodynamic transition in
Nb/PdNi/Nb Superconductor/Ferromagnetic/Superconductor (SFS) heterostructures
by microwave measurements of the superfluid density. We have observed a shift
in the transition temperature with the ageing of the heterostructures,
suggesting that... | 1510.08265v1 |
2015-10-30 | Suppression of phonon-mediated hot carrier relaxation in type-II InAs/AlAs$_{x}$Sb$_{1-x}$ quantum wells: a practical route to hot carrier solar cells | InAs/AlAs$_{x}$Sb$_{1-x}$ quantum wells are investigated for their potential
as hot carrier solar cells. Continuous wave power and temperature dependent
photoluminescence indicate a transition in the dominant hot carrier relaxation
process from conventional phonon-mediated carrier relaxation below 90 K to a
regime wher... | 1511.00042v1 |
2015-11-16 | Accurate Measurements of Cross-plane Thermal Conductivity of Thin Films by Dual-Frequency Time-Domain Thermoreflectance (TDTR) | Accurate measurements of the cross-plane thermal conductivity {\Lambda}_cross
of a high-thermal-conductivity thin film on a low-thermal-conductivity
({\Lambda}_s) substrate (e.g., {\Lambda}_cross/{\Lambda}_s>20) are challenging,
due to the low thermal resistance of the thin film compared to that of the
substrate. In pr... | 1511.04852v2 |
2015-11-25 | Full Dynamic Control of In-plane Elastic Stress Tensor in Nanomembranes | Strain engineering allows the physical properties of materials and devices to
be widely tailored, as paradigmatically demonstrated by strained transistors
and semiconductor lasers employed in consumer electronics. For this reason, its
potential impact on our society has been compared to that of chemical alloying.
Altho... | 1511.08192v1 |
2016-01-08 | On the origin of atomistic mechanism of rapid diffusion in alkali halide nanoclusters | To elucidate the atomistic diffusion mechanism responsible for the rapid
diffusion in alkali halide nano particles, called Spontaneous Mixing, we
execute molecular dynamics simulations with empirical models for KCl-KBr,
NaCl-NaBr, RbCl-RbBr and KBr-KI. We successfully reproduce essential features
of the rapid diffusion... | 1601.01864v1 |
2016-01-15 | Structural Semiconductor-to-Semimetal Phase Transition in Two-Dimensional Materials Induced by Electrostatic Gating | Dynamic control of conductivity and optical properties via atomic structure
changes is of tremendous technological importance in information storage.
Energy consumption considerations provide a driving force toward employing thin
materials in devices. Monolayer transition metal dichalcogenides are nearly
atomically-thi... | 1601.04073v1 |
2016-02-05 | Configuration Dependence of Band Gap Narrowing and Localization in Dilute GaAs_{1-x} Bi_x Alloys | Anion substitution with bismuth (Bi) in III-V semiconductors is an effective
method for experimental engineering of the band gap Eg at low Bi
concentrations, in particular in gallium arsenide (GaAs). The inverse
Bi-concentration dependence of Eg has been found to be linear at low
concentrations x and dominated by a val... | 1602.02112v1 |
2016-02-16 | Theoretical study on the anisotropic electronic structure of antiferromagnetic BaFe$_2$As$_2$ and Co-doped Ba(Fe$_{1-x}$Co$_x$)$_2$As$_2$ seen by angle-resolved photoemission | By means of one-step model calculations the strong in-plane anisotropy seen
in angle-resolved photoemission of the well-known iron pnictide prototype
compounds BaFe$_2$As$_2$ and Ba(Fe$_{1-x}$Co$_x$)$_2$As$_2$ in their
low-temperature antiferromagnetic phases is investigated. The
fully-relativistic calculations are bas... | 1602.05027v1 |
2016-02-19 | A systematic study of magnetodynamic properties at finite temperatures in doped permalloy from first principles calculations | By means of first principles calculations, we have systematically
investigated how the magnetodynamic properties Gilbert damping, magnetization
and exchange stiffness are affected when permalloy (Py)
(Fe$_{0.19}$Ni$_{0.81}$) is doped with 4d or 5d transition metal impurities. We
find that the trends in the Gilbert damp... | 1602.06201v2 |
2016-02-23 | Topological Phases in InAs$_{1-x}$Sb$_x$: From Novel Topological Semimetal to Majorana Wire | Superconductor proximitized one-dimensional semiconductor nanowires with
strong spin-orbit interaction (SOI) are at this time the most promising
candidates for the realization of topological quantum information processing.
In current experiments the SOI originates predominantly from extrinsic fields,
induced by finite ... | 1602.07001v3 |
2016-02-25 | Colossal dielectric constant in high entropy oxides | Entropic contributions to the stability of solids are very well understood
and the mixing entropy has been used for forming various solids, for instance
such as inverse spinels. A particular development was related to high entropy
alloys in which the configurational disorder is responsible for forming simple
solid solu... | 1602.07842v1 |
2016-02-26 | Two types of all-optical magnetization switching mechanisms using femtosecond laser pulses | Magnetization manipulation in the absence of an external magnetic field is a
topic of great interest, since many novel physical phenomena need to be
understood and promising new applications can be imagined. Cutting-edge
experiments have shown the capability to switch the magnetization of magnetic
thin films using ultr... | 1602.08525v2 |
2016-04-08 | Melt Flow and Heat Transfer in Laser Drilling | During the laser drilling process the recoil pressure drives melt flow and
affects the heat transfer and material removal rate. To get a more realistic
picture of the melt flow, a series of differential equations are formulated
here that govern the process from pre-heating to melting and evaporation. In
particular, the... | 1604.02357v1 |
2016-04-13 | Remarkable magnetostructural coupling around the magnetic transition in CeCo$_{0.85}$Fe$_{0.15}$Si | We report a detailed study of the magnetic properties of
CeCo$_{0.85}$Fe$_{0.15}$Si under high magnetic fields (up to 16 Tesla)
measuring different physical properties such as specific heat, magnetization,
electrical resistivity, thermal expansion and magnetostriction.
CeCo$_{0.85}$Fe$_{0.15}$Si becomes antiferromagnet... | 1604.03985v1 |
2016-04-18 | A Theoretical Investigation of Orientation Relationships and Transformation Strains in Steels | The identification of orientation relationships (ORs) plays a crucial r\^ole
in the understanding of solid phase transformations. In steels, the most common
models of ORs are the ones by Nishiyama-Wassermann (NW) and Kurdjumov-Sachs
(KS). The defining feature of these and other OR models is the matching of
directions a... | 1604.05270v2 |
2016-04-22 | Finding and proving the exact ground state of a generalized Ising model by convex optimization and MAX-SAT | Lattice models, also known as generalized Ising models or cluster expansions,
are widely used in many areas of science and are routinely applied to alloy
thermodynamics, solid-solid phase transitions, magnetic and thermal properties
of solids, and fluid mechanics, among others. However, the problem of finding
the true ... | 1604.06722v1 |
2016-04-24 | Cooling rate dependence of simulated ${\rm Cu_{64.5}Zr_{35.5}}$ metallic glass structure | Using molecular dynamics simulations with embedded atom model potential, we
study structural evolution of ${\rm Cu_{64.5}Zr_{35.5}}$ alloy during the
cooling in a wide range of cooling rates $\gamma\in(1.5\cdot 10^{9},10^{13})$
K/s. Investigating short- and medium-range order, we show that structure of
${\rm Cu_{64.5}Z... | 1604.07024v1 |
2016-05-11 | Influence of structural defects on the magnetocaloric effect in the vicinity of the first order magnetic transition in Fe(50.4)Rh(49.6) | The large magnetocaloric effect (MCE), which accompanies the first order
ferromagnetic/anti-ferromagnetic transition in CsCl-ordered Fe-Rh alloys, has
been investigated by measurements in slowly cycled magnetic fields of up to 2 T
in magnitude for a range of temperatures, 300K < T < 350K. A bulk sample with
composition... | 1605.03323v1 |
2016-05-17 | Interfacial instability of a planar interface and diffuseness at the solid-liquid interface for pure and binary materials | Topographical and diffuse interface reconfigurations occur with a change in
the solidification rate. In this article we pursue the hypothesis that the
interface configuration during solidification is determined by the rate of
entropy production in the region between a rigorous solid and rigorous liquid
phase. We posit ... | 1605.05005v2 |
2016-05-18 | Light element diffusion in Mg using first principles calculations: Anisotropy and elastodiffusion | The light elemental solutes B, C, N, and O can penetrate the surface of Mg
alloys and diffuse during heat treatment or high temperature application,
forming undesirable compounds. We investigate the diffusion of these solutes by
determining their stable interstitial sites and the inter-penetrating network
formed by the... | 1605.05650v2 |
2016-05-28 | Interband characterization and electronic transport control of nanoscaled GeTe/Sb$_2$Te$_3$ superlattices | The extraordinary electronic and optical properties of the
crystal-to-amorphous transition in phase-change materials led to important
developments in memory applications. A promising outlook is offered by
nanoscaling such phase-change structures. Following this research line, we
study the interband optical transmission... | 1605.08871v1 |
2016-06-06 | Magnetocaloric effect and nature of magnetic transition in low dimensional DyCu2 | In this manuscript, we propose a method to prepare small flakes of DyCu2. On
top of that we also report on the magnetocaloric effect and nature of magnetic
transition of a strongly anisotropic DyCu2 in its low dimension. Magnetization
measurements were carried out in the temperature range of 5 to 100 K and up to
the ma... | 1606.01694v1 |
2016-06-12 | Effect of vacancies on the mechanical properties of zirconium: An ab initio investigation | It is well known that the irradiation-induced defects strongly influence the
mechanical properties of zirconium (Zr) or its alloys in nuclear reactors.
However, how the point defect changes the mechanical properties has been rarely
studied. Here, we systematically investigated the effect of vacancies on the
mechanical ... | 1606.03700v1 |
2016-06-26 | Spin Filtering through Single-Wall Carbon Nanotubes Functionalized with Single-Stranded DNA | High spin polarization materials or spin filters are key components in
spintronics, a niche subfield of electronics where carrier spins play a
functional role. Carrier transmission through these materials is "spin
selective" i.e. these materials are able to discriminate between "up" and
"down" spins. Common spin filter... | 1606.07983v1 |
2016-07-10 | Monte-Carlo approach to calculate the ionization of warm dense matter within particle-in-cell simulations | A physical model based on a Monte-Carlo approach is proposed to calculate the
ionization dynam- ics of warm dense matters (WDM) within particle-in-cell
simulations, and where the impact (col- lision) ionization (CI), electron-ion
recombination (RE) and ionization potential depression (IPD) by surrounding
plasmas are ta... | 1607.02724v2 |
2016-07-11 | Effect of local environment on moment formation in iron silicides | The effect of local environment on the formation of magnetic moments on Fe
atoms in iron silicides are studied by combination of ab initio and model
calculations. The suggested model includes all Fe d- and Si p-orbitals,
intra-atomic Coulomb interactions, inter-atomic Fe-Fe exchange and hopping of
electrons to nearest ... | 1607.02856v2 |
2016-07-29 | Structural and magnetic properties of Co-N thin films deposited using magnetron sputtering at 523 K | In this work, we studied cobalt nitride (Co-N) thin films deposited using a
dc magnetron sputtering method at a substrate temperature (\Ts) of 523\,K. We
find that independent of the reactive gas flow (\pn) used during sputtering,
the phases of Co-N formed at this temperature seems to be identical having N
\pat~$\sim$5... | 1607.08701v1 |
2016-08-12 | Unifying interatomic potential, g(r), elasticity, viscosity, and fragility of metallic glasses: analytical model, simulations, and experiments | An analytical framework is proposed to describe the elasticity, viscosity and
fragility of metallic glasses in relation to their atomic-level structure and
the effective interatomic interaction. The bottom-up approach starts with
forming an effective Ashcroft-Born-Mayer interatomic potential based on
Boltzmann inversio... | 1608.03834v1 |
2016-08-31 | Superelastic stress-strain behavior in ferrogels of different types of magneto-elastic coupling | Colloidal magnetic particles embedded in an elastic polymer matrix constitute
a smart material called ferrogel. It responds to an applied external magnetic
field by changes in elastic properties, which can be exploited for various
applications like dampers, vibration absorbers, or actuators. Under appropriate
condition... | 1608.08826v1 |
2016-09-09 | Extremely large magnetoresistance in a topological semimetal candidate pyrite PtBi2 | While pyrite-type PtBi2 with face-centered cubic structure has been predicted
to be a three-dimensional (3D) Dirac semimetal, experimental study on its
physical properties remains absent. Here we report the angular-dependent
magnetoresistance (MR) measurements of PtBi2 single-crystal under high magnetic
fields. We obse... | 1609.02626v2 |
2016-09-09 | Effect of lithographically-induced strain relaxation on the magnetic domain configuration in microfabricated epitaxially grown Fe81Ga19 | We investigate the role of lithographically-induced strain relaxation in a
micron-scaled device fabricated from epitaxial thin films of the
magnetostrictive alloy Fe81Ga19. The strain relaxation due to lithographic
patterning induces a magnetic anisotropy that competes with the
magnetocrystalline and shape induced anis... | 1609.02930v2 |
2016-09-24 | First principles modeling of defects in the Al_2O_3/In_0.53Ga_0.47As system | Density functional theory paired with a first order many-body perturbation
theory correction is applied to determine formation energies and charge
transition energies for point defects in bulk In_0.53Ga_0.47As and for models
of the In_0.53Ga_0.47As/Al_2O_3 interface. The results are consistent with
previous computation... | 1609.07624v1 |
2016-09-27 | A First-Principles Comparative Study of Lithium, Sodium, and Magnesium Storage in Pure and Gallium-Doped Germanium: Competition between Interstitial and Substitutional Sites | Thermodynamics and kinetics of Li, Na, and Mg storage in Ge is studied ab
initio. The most stable configurations can consist of tetrahedral,
substitutional, or a combination of the two types of sites. In the dilute
limit, Li, Na prefer interstitial, while Mg prefers substitutional sites. At
higher concentrations of Li,... | 1609.08284v1 |
2016-10-05 | Applicability of scaling behavior and power laws in the analysis of the magnetocaloric effect in second-order phase transition materials | In recent years, universal scaling has gained renewed attention in the study
of magnetocaloric materials. It has been applied to a wide variety of pure
elements and compounds, ranging from rare earth-based materials to transition
metal alloys, from bulk crystalline samples to nanoparticles. It is therefore
necessary to... | 1610.01550v1 |
2016-10-10 | Taming intermittent plasticity at small scales | The extreme miniaturization in modern technology calls for deeper insights
into the non-conventional, fluctuation dominated mechanics of materials at
micro- to nano-scales. Both experiments and simulations show that sub-micron
face-centered-cubic (FCC) crystals exhibit high yield strength, which is,
however, compromise... | 1610.02897v1 |
2016-10-11 | Characterization and control of ZnGeN2 cation lattice ordering | ZnGeN2 and other heterovalent ternary semiconductors have important potential
applications in optoelectronics, but ordering of the cation sublattice, which
can affect the band gap, lattice parameters, and phonons, is not yet well
understood. Here the effects of growth and processing conditions on the
ordering of the Zn... | 1610.03512v2 |
2016-10-12 | Monitoring near-surface depth profile of residual stress in weakly anisotropic media by Rayleigh-wave dispersion | Herein we study the inverse problem on inferring depth profile of
near-surface residual stress in a weakly anisotropic medium by boundary
measurement of Rayleigh-wave dispersion if all other relevant material
parameters of the elastic medium are known. Our solution of this inverse
problem is based on a recently develop... | 1610.06413v2 |
2016-10-25 | Phase decomposition in an Fe-Cr alloy at 402 deg C: Mössbauer spectroscopic study | Phase separation in strained and strain-free samples of Fe84.85Cr15.15
induced by an isothermal annealing at 402 deg C up to 3888 h was studied by
means of the Mossbauer spectroscopy. The measured Fe-site spectra were analyzed
with two different procedures viz. a hyperfine field distribution and a
two-shell superpositi... | 1610.08014v1 |
2016-11-01 | Crystallography of deformation twinning in hexagonal close-packed metals. Revisiting the case of the (56 deg, a) contraction twins in magnesium | Contraction twinning in magnesium alloys leads to new grains that are
misoriented from the parent grain by a rotation of 56 deg around the a-axis.
The classical theory of deformation twinning does not precise the atomic
displacements and does not explain why contractions twinning is less frequent
than extension twinnin... | 1611.00273v1 |
2016-11-01 | Fermi-surface topologies and low-temperature phases of the filled Skutterudite compounds CeOs$_4$Sb$_{12}$ and NdOs$_4$Sb$_{12}$ | MHz conductivity, torque magnetometer and magnetization measurements are
reported on single crystals of CeOs$_4$Sb$_{12}$ and NdOs$_4$Sb$_{12}$ using
temperatures down to 0.5~K and magnetic fields of up to 60~tesla. The
field-orientation dependence of the de Haas-van Alphen and Shubnikov-de Haas
oscillations is deduced... | 1611.00318v1 |
2016-11-09 | A phase space approach to supercooled liquids and a universal collapse of their viscosity | A broad fundamental understanding of the mechanisms underlying the
phenomenology of supercooled liquids has remained elusive, despite decades of
intense exploration. When supercooled beneath its characteristic melting
temperature, a liquid sees a sharp rise in its viscosity over a narrow
temperature range, eventually b... | 1611.03018v1 |
2016-11-14 | Emerging trends in Topological Insulator and Topological Superconductor | Topological insulators are new class of materials which are characterized by
a bulk band gap like ordinary band insulator but have protected conducting
states on their edge or surface. These states emerge out due to the combination
of spin-orbit coupling and time reversal symmetry. Also these states are
insensitive to ... | 1611.04252v2 |
2016-11-14 | Nanoscale Chemical Evolution of Silicon Negative Electrodes Characterized by Low-Loss STEM-EELS | Continuous solid electrolyte interface (SEI) formation remains the limiting
factor of the lifetime of silicon nanoparticles (SiNPs) based negative
electrodes. Methods that could provide clear diagnosis of the electrode
degradation are of utmost necessity to streamline further developments. We
demonstrate that electron ... | 1611.04374v1 |
2016-11-20 | The effect of dynamical compressive and shear strain on magnetic anisotropy in low symmetry ferromagnetic film | Dynamical strain generated upon excitation of a metallic film by a
femtosecond laser pulse may become a versatile tool enabling control of
magnetic state of thin films and nanostructures via inverse magnetostriction on
a picosecond time scale. Here we explore two alternative approaches to
manipulate magnetocrystalline ... | 1611.06599v3 |
2017-01-17 | Nucleation and growth of hierarchical martensite in epitaxial shape memory films | Shape memory alloys often show a complex hierarchical morphology in the
martensitic state. To understand the formation of this twin-within-twins
microstructure, we examine epitaxial Ni-Mn-Ga films as a model system. In-situ
scanning electron microscopy experiments show beautiful complex twinning
patterns with a number ... | 1701.04683v1 |
2017-01-23 | Size Effects of Ferroelectric and Magnetoelectric Properties of Semi-ellipsoidal Bismuth Ferrite Nanoparticles | Bismuth ferrite (BiFeO3) is one of the most promising multiferroics with a
sufficiently high ferroelectric (FE) and antiferromagnetic transition
temperatures, and magnetoelectric (ME) coupling coefficient at room
temperature, and thus it is highly sensitive to the impact of cross-influence
of applied electric and magne... | 1701.06468v1 |
2017-01-24 | Semirelativity in Semiconductors: a Review | Analogy between behavior of electrons in narrow-gap semiconductors (NGS) and
relativistic electrons is reviewed. Energy bands in NGS correspond to special
relativity, the latter is analogous to two-band k.p description for NGS.
Maximum electron velocity in NGS is u=(okolo)1x 10^8 cm/s corresponding to the
light velocit... | 1701.07067v1 |
2017-03-08 | Oxidation-Mediated Fingering in Liquid Metals | We identify and characterize a new class of fingering instabilities in liquid
metals; these instabilities are unexpected due to the large interfacial tension
of metals. Electrochemical oxidation lowers the effective interfacial tension
of a gallium-based liquid metal alloy to values approaching zero, thereby
inducing d... | 1703.03011v1 |
2017-03-15 | Budgeted Batch Bayesian Optimization With Unknown Batch Sizes | Parameter settings profoundly impact the performance of machine learning
algorithms and laboratory experiments. The classical grid search or trial-error
methods are exponentially expensive in large parameter spaces, and Bayesian
optimization (BO) offers an elegant alternative for global optimization of
black box functi... | 1703.04842v2 |
2017-03-20 | Interplay of phase sequence and electronic structure in the modulated martensites of Mn$_2$NiGa from first-principles | We investigate relative stability, structural properties and electronic
structure of various modulated martensites of the magnetic shape memory alloy
Mn$_{2}$NiGa by means of density functional theory. We observe that the
instability in the high-temperature cubic structure first drives the system to
a structure where m... | 1703.06705v2 |
2017-03-22 | Effects of proton irradiation on flux-pinning properties of underdoped Ba(Fe$_{0.96}$Co$_{0.04}$)$_2$As$_2$ pnictide superconductor | We study the effect of proton irradiation on
Ba(Fe$_{0.96}$Co$_{0.04}$)$_2$As$_2$ superconducting single crystals from
combined magnetisation and magnetoresistivity measurements. The study allows
the extraction of the values of the apparent pinning energy $U_0$ of the
samples prior to and after irradiation, as well as ... | 1703.07759v1 |
2017-07-03 | Emerging Magnetic Order In Copper Induced By Proximity To Cobalt: A Detailed Soft X-Ray Spectroscopy Study | We present an x-ray magnetic dichroism (XMCD) and soft x-ray absorption
spectroscopy (XAS) study to address the nature of emerging magnetic order in
metallic Copper as Cobalt is added to the matrix. For this purpose line shape
and energy position of XAS and XMCD spectra will be analyzed for a series of
Co/Cu alloys as ... | 1707.00774v2 |
2017-07-12 | Conduction spectroscopy of a proximity induced superconducting topological insulator | The combination of superconductivity and the helical spin-momentum locking at
the surface state of a topological insulator (TI) has been predicted to give
rise to p-wave superconductivity and Majorana bound states. The
superconductivity can be induced by the proximity effect of a an s-wave
superconductor (S) into the T... | 1707.03640v1 |
2017-07-21 | Initiation and Propagation of Plastic Yielding in Duplex Stainless Steel | The elastoplastic behavior of a two-phase stainless steel alloy is explored
at the crystal scale for five levels of stress biaxiality. The crystal lattice
(elastic) strains were measured with neutron diffraction using tubular samples
subjected to different combinations of axial load and internal pressure to
achieve a r... | 1707.06857v1 |
2017-07-28 | A low-background piston-cylinder type hybrid high pressure cell for muon-spin rotation/relaxation experiments | A low background double-wall piston-cylinder-type pressure cell is developed
at the Paul Scherrer Institute. The cell is made from BERLYCO-25 (beryllium
copper) and MP35N nonmagnetic alloys with the design and dimensions which are
specifically adapted to muon-spin rotation/relaxation (muSR) measurements. The
mechanical... | 1707.09275v2 |
2017-08-04 | Proliferation of Twinning in HCP Metals: Application to Magnesium | Plastic deformation of metallic alloys usually takes place through slip, but
occasionally involves twinning. In particular, twinning is important in
hexagonal close packed materials where the easy slip systems are insufficient
to accommodate arbitrary deformations. While deformation by slip mechanisms is
reasonably wel... | 1708.01662v1 |
2017-08-11 | Impurity effects on the grain boundary cohesion in copper | Segregated impurities at grain boundaries can dramatically change the
mechanical behavior of metals, while the mechanism is still obscure in some
cases. Here, we suggest an unified approach to investigate segregation and its
effects on the mechanical properties of polycrystalline alloys using the
example of 3$sp$ impur... | 1708.03597v1 |
2017-08-14 | High-Kinetic Inductance Additive Manufactured Superconducting Microwave Cavity | Investigations into the microwave surface impedance of superconducting
resonators have led to the development of single photon counters that rely on
kinetic inductance for their operation. While concurrent progress in additive
manufacturing, `3D printing', opens up a previously inaccessible design space
for waveguide r... | 1708.04273v1 |
2017-08-15 | Defect Imaging and Detection of Precipitates Using a New Scanning Positron Microbeam | We report on a newly developed scanning positron microbeam based on threefold
moderation of positrons provided by the high intensity positron source NEPOMUC.
For brightness enhancement a remoderation unit with a $100\,$nm thin Ni(100)
foil and 9.6% efficiency is applied to reduce the area of the beam spot by a
factor o... | 1708.04424v1 |
2017-08-16 | Fundamental Band Gap and Alignment of Two-Dimensional Semiconductors Explored by Machine Learning | Two-dimensional (2D) semiconductors isoelectronic to phosphorene has been
drawing much attention recently due to their promising applications for
next-generation (opt)electronics. This family of 2D materials contains more
than 400 members, including (a) elemental group-V materials, (b) binary III-VII
and IV-VI compound... | 1708.04766v1 |
2017-08-16 | Quasiballistic heat removal from small sources studied from first principles | Heat sources whose characteristic dimension $R$ is comparable to phonon mean
free paths display thermal resistances that exceed conventional diffusive
predictions. This has direct implications to (opto)electronics thermal
management and phonon spectroscopy. Theoretical analyses have so far limited
themselves to particu... | 1708.04906v1 |
2017-08-29 | Ultra-low background mass spectrometry for rare-event searches | Inductively Coupled Plasma Mass Spectrometry (ICP-MS) allows for rapid,
high-sensitivity determination of trace impurities, notably the primordial
radioisotopes $^{238}$U and $^{232}$Th, in candidate materials for
low-background rare-event search experiments. We describe the setup and
characterisation of a dedicated lo... | 1708.08860v2 |
2017-09-08 | Nuclear Magnetic Relaxation and Knight Shift Due to Orbital Interaction in Dirac Electron Systems | We study the nuclear magnetic relaxation rate and Knight shift in the
presence of the orbital and quadrupole interactions for three-dimensional Dirac
electron systems (e.g., bismuth-antimony alloys). By using recent results of
the dynamic magnetic susceptibility and permittivity, we obtain rigorous
results of the relax... | 1709.02617v1 |
2017-09-12 | Electric field induced semiconductor-to-metal phase transition in vertical MoTe2 and Mo1-xWxTe2 devices | Over the past years, transition metal dichalcogenides (TMDs) have attracted
attention as potential building blocks for various electronic applications due
to their atomically thin nature. An exciting development is the recent success
in 'engineering' crystal phases of TMD compounds during the growth due to their
polymo... | 1709.03835v1 |
2017-09-14 | Catalyst design using actively learned machine with non-ab initio input features towards CO2 reduction reactions | In conventional chemisorption model, the d-band center theory (augmented
sometimes with the upper edge of d-band for imporved accuarcy) plays a central
role in predicting adsorption energies and catalytic activity as a function of
d-band center of the solid surfaces, but it requires density functional
calculations that... | 1709.04576v1 |
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