publicationDate stringlengths 1 2.79k | title stringlengths 1 36.5k ⌀ | abstract stringlengths 1 37.3k ⌀ | id stringlengths 9 47 |
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2017-05-16 | The Structural Fate of Individual Multicomponent Metal-Oxide Nanoparticles in Polymer Nanoreactors | Multicomponent nanoparticles can be synthesized with either homogeneous or
phase-segregated architectures depending on the synthesis conditions and
elements incorporated. To understand the parameters that determine their
structural fate, multicomponent metal-oxide nanoparticles consisting of
combinations of Co, Ni, and... | 1705.05760v2 |
2017-05-23 | Stochastic Replica Voting Machine Prediction of Stable Cubic and Double Perovskite Materials and Binary Alloys | A machine learning approach that we term the `Stochastic Replica Voting
Machine' (SRVM) algorithm is presented and applied to a binary and a 3-class
classification problems in materials science. Here, we employ SRVM to predict
candidate compounds capable of forming stable perovskites and double
perovskites and further ... | 1705.08491v5 |
2017-05-24 | Transverse Magnetoresistance of Zn$_{0.9}$Co$_{0.1}$O:Al Thin Films | The transverse magnetoresistance of thin films of the Diluted Magnetic
Semiconductor Zn$_{1-x}$Co$_{x}$O:Al on glass was studied for temperatures in
the range of 5 to 100 K. Measurements were made on thin films grown by rf
magnetron sputtering, with a thickness of approximately 200 nm. ZnO was alloyed
with Co to a conc... | 1705.08936v1 |
2017-05-25 | Spin-wave spectroscopy on Dzyaloshinskii-Moriya interaction in room-temperature chiral magnets hosting skyrmions | Propagation character of spin wave was investigated for chiral magnets FeGe
and Co-Zn-Mn alloys, which can host magnetic skyrmions near room temperature.
On the basis of the frequency shift between counter-propagating spin waves, the
magnitude and sign of Dzyaloshinskii-Moriya (DM) interaction were directly
evaluated. ... | 1705.09001v1 |
2017-05-30 | Growth of bulk single-crystal MnP helimagnet and its structural and NMR characterization | Bulk single crystals of manganese phosphide (MnP) were grown from melt at 1
GPa and 1200 C by using a cubic-anvil, high-pressure, and high-temperature
technique. The obtained black colored crystals exhibit a plate-like morphology,
with flat surfaces and maximum dimensions up to 4 x 2 x 0.5 mm3. The
orthorhombic crystal... | 1705.10491v1 |
2017-05-30 | Towards an ASM thesis for reflective sequential algorithms | Starting from Gurevich's thesis for sequential algorithms (the so-called
"sequential ASM thesis"), we propose a characterization of the behaviour of
sequential algorithms enriched with reflection. That is, we present a set of
postulates which we conjecture capture the fundamental properties of reflective
sequential alg... | 1705.10708v1 |
2018-07-03 | Hexagonal Sr0.6Ba0.4MnO3: Spin and Dipole Coupling via Local Structure | Hexagonal Sr0.6Ba0.4MnO3 (SBMO) follows P63/mmc symmetry where MnO6 octahedra
are both face-shared (Mn2O9 bi-octahedra) and corner-shared via oxygen anion.
It undergoes ferroelectric (FE) and antiferromagnetic (AFM) orderings close to
the room temperature. Magnetic properties appear to be governed by intricate
exchange... | 1807.01303v2 |
2018-07-10 | Evidence of the isoelectronic character of F doping in SmFeAsO(1-x)F(x): a first-principles investigation | We study the electronic structure of the SmFeAsO(1-x)F(x) alloy by means of
first-principle calculations. We find that, contrary to common believe,
F-doping does not change the charge balance between electrons and holes
free-carriers in SmFeAsO(1-x)F(x). For energies within a narrow energy range
across E_F, the effect ... | 1807.03709v1 |
2018-07-13 | Ab initio thermal conductivity of thermoelectric Mg$_3$Sb$_2$: evidence for dominant extrinsic effects | The lattice thermal conductivity of the candidate thermoelectric material
Mg$_3$Sb$_2$ is studied from first principles, with the inclusion of
anharmonic, isotope, and boundary scattering processes, and via an accurate
solution of the Boltzmann equation. We find that the anomalously low observed
conductivity is due to ... | 1807.04981v3 |
2018-07-15 | Thermoelectric Properties of (1-x)LaCoO$_{3.x}$La$_{0.7}$Sr$_{0.3}$MnO$_3$ Composite | We report the thermoelectric (TE) properties of (1-x)LaCoO3.xLa0.7Sr0.3MnO3
(0 < x < 0.10) composite in a temperature range 320-800 K. Addition of
La0.7Sr0.3MnO3 to LaCoO3 in small amount (5 weight %) improves the overall
Seebeck coefficient ({\alpha}) at higher temperatures. The electrical
conductivity, however, decre... | 1807.05563v1 |
2018-07-15 | Tunable double-Weyl Fermion semimetal state in the SrSi$_2$ materials class | We discuss first-principles topological electronic structure of
noncentrosymmetric SrSi$_2$ materials class based on the hybrid
exchange-correlation functional. Topological phase diagram of SrSi$_2$ is
mapped out as a function of the lattice constant with focus on the semimetal
order. A tunable double-Weyl Fermion stat... | 1807.05585v1 |
2018-07-15 | Accessible computational materials design with high fidelity and high throughput | Despite multiple successful applications of high-throughput computational
materials design from first principles, there is a number of factors that
inhibit its future adoption. Of particular importance are limited ability to
provide high fidelity in a reliable manner and limited accessibility to
non-expert users. We pr... | 1807.05623v1 |
2018-07-24 | Impact of magnetic moment and anisotropy of Co$_\textrm{1-x}$Fe$_\textrm{x}$ thin films on the magnetic proximity effect of Pt | We present a systematic study of the magnetic proximity effect in Pt,
depending on the magnetic moment and anisotropy of adjacent metallic
ferromagnets. Element-selective x-ray resonant magnetic reflectivity
measurements at the Pt absorption edge (11565$\,$eV) are carried out to
investigate the spin polarization of Pt ... | 1807.09032v2 |
2018-07-24 | Thermodynamics and kinetics of nucleation in binary solutions | A new approach that is a combination of classical thermodynamics and
macroscopic kinetics is offered for studying the nucleation kinetics in
condensed binary solutions. The theory covers the separation of liquid and
solid solutions proceeding along the nucleation mechanism, as well as
liquid-solid transformations, e.g.... | 1807.09293v1 |
2018-07-25 | Properties of dislocation lines in crystals with strong atomic-scale disorder | We use a discrete dislocation dynamics (DDD) approach to study the motion of
a dislocation under strong stochastic forces that may cause bending and
roughening of the dislocation line on scales that are comparable to the
dislocation core radius. In such situations, which may be relevant in high
entropy alloys (HEA) exh... | 1807.09512v1 |
2018-07-25 | Engineering strain relaxation of GeSn epilayers on Ge/Si(001) substrates | A mechanism of controlling the degree of strain relaxation in GeSn epilayers,
grown by molecular beam epitaxy on Ge/Si(001) substrates, is reported in this
work. It is demonstrated that by suitably controlling the thickness and the
growth recipe of the underlying Ge buffer layer, both fully-strained and
highly-relaxed ... | 1807.09718v1 |
2018-10-02 | Spin-dependent (inverse) spin Hall effect in Co$_{60}$Fe$_{20}$B$_{20}$ | In ferromagnetic metals, the interconversion of spin and charge currents via
the spin Hall effect and its inverse can depend on the angle between the
ferromagnets magnetization and the spin current polarization direction. Here,
such a spin-dependent (inverse) spin Hall effect is found in the ferromagnetic
alloy Co$_{60... | 1810.01227v3 |
2018-10-02 | Enhancement of the density of states at the Fermi level due to oxygen atoms in noble metals | The interaction of oxygen with noble metals such as silver has been an
important topic of research for many decades. Here, we show occurrence of a
peak in the density of states (DOS) at the Fermi level ($E_F$) when oxygen
atoms occupy disordered substitutional positions in noble metals such as Ag, Au
or Ag-Au alloy. Th... | 1810.01454v2 |
2018-09-30 | General Synthetic Route Towards Highly Dispersed Metal Clusters Enabled by Poly(ionic liquid)s | The capability to synthesize a broad spectrum of metal clusters (MCs) with
their size controllable in a subnanometer scale presents an enticing prospect
for exploring nanosize-dependent properties. Here we report an innovative
design of a capping agent from a polytriazolium poly(ionic liquid) (PIL) in a
vesicular form ... | 1810.01507v1 |
2018-10-04 | Thermal conductivity of strong coupling V$_{1-x}$Ti$_x$ superconductors in the Mott-Ioffe-Regel limit | We report an enhancement of thermal conductivity ($\kappa$) below the
superconducting transition temperature ($T_C$) in the high carrier density
$\beta$-V$_{1-x}$Ti$_x$ alloys. We find that the point defects generated when
Ti is added to V reduce the electron mean free path down to the inter-atomic
distances and make t... | 1810.02083v1 |
2018-10-06 | Possible origin of $β$-relaxation in amorphous metal alloys from atomic-mass differences of the constituents | We employ an atomic-scale theory within the framework of nonaffine lattice
dynamics to uncover the origin of the Johari-Goldstein (JG) $\beta$-relaxation
in metallic glasses (MGs). Combining simulation and experimental data with our
theoretical approach, we reveal that the large mass asymmetry between the
elements in a... | 1810.02967v1 |
2018-10-15 | Three-dimensional in situ characterization of phase transformation induced austenite grain refinement in nickel-titanium | Near-field and far-field high-energy diffraction microscopy and microcomputed
tomography X-ray techniques were used to study a bulk single crystal
nickel-titanium shape memory alloy sample subjected to thermal cycling under a
constant applied load. Three-dimensional in situ reconstructions of the
austenite microstructu... | 1810.06141v2 |
2018-10-15 | Space partitioning of exchange-correlation functionals with the projector augmented-wave method | We implement a Becke fuzzy cells type space partitioning scheme for the
purposes of exchange-correlation within the GPAW projector augmented-wave
method based density functional theory code. Space partitioning is needed in
the situation where one needs to treat different parts of a combined system
with different exchan... | 1810.06491v1 |
2018-10-24 | Properties of selected structural and flat flexible cabling materials for low temperature applications | We present measurements of the low temperature thermal conductivity for
materials useful in the construction of cryogenic supports for scientific
instrumentation and in the fabrication of flat flexible cryogenic cabling. The
materials we measure have relatively low thermal conductivity. We present a
method for measurin... | 1810.10187v3 |
2019-01-01 | Machine learning materials physics: Integrable deep neural networks enable scale bridging by learning free energy functions | The free energy of a system is central to many material models. Although free
energy data is not generally found directly, its derivatives can be observed or
calculated. In this work, we present an Integrable Deep Neural Network (IDNN)
that can be trained to derivative data, then analytically integrated to recover
an a... | 1901.00081v3 |
2019-01-10 | The universal emergence of self-affine roughness from deformation | Most natural and man-made surfaces appear to be rough on many length scales.
There is presently no unifying theory of the origin of roughness or the
self-affine nature of surface topography. One likely contributor to the
formation of roughness is deformation, which underlies many processes that
shape surfaces such as m... | 1901.03236v1 |
2019-01-17 | Machine Learning for Novel Thermal-Materials Discovery: Early Successes, Opportunities, and Challenges | High-throughput computational and experimental design of materials aided by
machine learning have become an increasingly important field in material
science. This area of research has emerged in leaps and bounds in the thermal
sciences, in part due to the advances in computational and experimental methods
in obtaining ... | 1901.05801v1 |
2019-01-20 | Influence of morphological instability on grain boundary trajectory during directional solidification | The interplay between the diffusion-controlled dynamics of a solidification
front and the trajectory of a grain boundary groove at the solid-liquid
interface is studied by means of thin-sample directional solidification
experiments of a transparent alloy, and by numerical simulations with the
phase-field method in two ... | 1901.06705v1 |
2019-01-22 | Semiconducting nature and thermal transport studies of ZrTe3 | We report electrical and thermal transport properties of polycrystalline
ZrTe3. The polycrystalline sample shows semiconducting behavior in contrast to
the established semi-metallic character of the compound. However the charge
density wave (CDW) transition remains intact and its clear signatures are
observed in therma... | 1901.07286v1 |
2019-01-26 | Atomic-scale factors that control the rate capability of nanostructured amorphous Si for high-energy-density batteries | Nanostructured Si is the most promising high-capacity anode material to
substantially increase the energy density of Li-ion batteries. Among the
remaining challenges is its low rate capability as compared to conventional
materials. To understand better what controls the diffusion of Li in the
amorphous Li-Si alloy, we ... | 1901.09272v1 |
2019-01-28 | Effect of Bi Substitution on Thermoelectric Properties of SbSe2-based Layered Compounds NdO$_{0.8}$F$_{0.2}$Sb$_{1-x}$Bi$_x$Se$_2$ | Although SbSe2-based layered compounds have been predicted to be
high-performance thermoelectric materials and topological materials, most of
these compounds obtained experimentally have been insulators so far. Here, we
present the effect of Bi substitution on the thermoelectric properties of
SbSe2-based layered compou... | 1901.09909v1 |
2019-01-29 | Interdiffusion in Group IV Semiconductor Material Systems: Applications, Research Methods and Discoveries | Group IV semiconductor alloys and heterostructures such as SiGe, GeSn, Ge/Si
and SiGe:C have been widely used and under extensive research for applications
in major microelectronic and photonic devices. In the growth and processing of
these materials, nanometer scale interdiffusion happens that are generally
undesirabl... | 1901.10105v2 |
2019-04-05 | Two- and three-electron bubbles in Al$_{x}$Ga$_{1-x}$As/Al$_{0.24}$Ga$_{0.76}$As quantum wells | We report on transport signatures of eight distinct bubble phases in the
$N=3$ Landau level of a Al$_{x}$Ga$_{1-x}$As/Al$_{0.24}$Ga$_{0.76}$As quantum
well with $x = 0.0015$. These phases occur near partial filling factors
$\nu^\star \approx 0.2\,(0.8)$ and $\nu^\star \approx 0.3\,(0.7)$ and have $M =
2$ and $M = 3$ el... | 1904.03159v1 |
2019-04-08 | On the depth resolution of transmission Kikuchi diffraction (TKD) analysis | In this paper, we have analysed the depth resolution that can be achieved by
on-axis transmission Kikuchi diffraction (TKD) using a Zr-Nb alloy. The results
indicate that the signals contributing to detectable Kikuchi bands originate
from a depth of approximately the mean free path of thermal diffuse scattering
(lambda... | 1904.04140v1 |
2019-04-09 | Structurally driven asymmetric miscibility in the phase diagram of W-Ti | Phase diagrams for multi-component systems represent crucial information for
understanding and designing materials but are very time consuming to assess
experimentally. Computational modeling plays an increasingly important role in
this regard but has been largely focused on systems with matching lattice
structures and... | 1904.04814v1 |
2019-04-10 | Tuning the glass-forming ability of metallic glasses through energetic frustration | The design of multi-functional BMGs is limited by the lack of a quantitative
understanding of the variables that control the glass-forming ability (GFA) of
alloys. Both geometric frustration (e.g. differences in atomic radii) and
energetic frustration (e.g. differences in the cohesive energies of the atomic
species) co... | 1904.05407v1 |
2019-04-11 | Forescattered electron imaging of nanoparticles in a scanning electron microscopy | In this study, we have used a Zr-Nb alloy containing well-defined
nano-precipitates as a model material in which to study imaging contrast
inversions (atomic number or diffraction contrast) observed with the
forescattered electron imaging system, ARGUSTM, in a scanning electron
microscope (SEM) when imaging a thin foil... | 1904.05660v1 |
2019-04-24 | An atomistic view of grain boundary diffusion | This paper presents an overview of recent computer simulations of grain
boundary (GB) diffusion focusing on atomistic understanding of diffusion
mechanisms. At low temperatures when GB structure is ordered, diffusion is
mediated by point defects inducing collective jumps of several atoms forming a
chain. At high temper... | 1904.10756v1 |
2019-04-26 | Blueprint for deterministic all-optical switching of magnetization | We resolve a significant controversy about how to understand and engineer
single-shot all-optical switching of magnetization in ferrimagnets using femto-
or picosecond-long heat pulses. By realistically modelling a generic
ferrimagnet as two coupled macrospins, we comprehensively show that the net
magnetization can be ... | 1904.11977v1 |
2019-06-19 | Giant and Linear Magnetoresistance in Liquid Metals at Ambient Temperature | Disorder-induced magnetoresistance has been reported in a range of solid
metals and semiconductors, however, the underlying physical mechanism is still
under debate because it is difficult to experimentally control. Liquid metals,
due to lack of long-range order, offers an ideal model system where many forms
of disorde... | 1907.01462v1 |
2019-07-04 | Dynamics of the magnetoelastic phase transition and adiabatic temperature change in Mn1.3Fe0.7P0.5Si0.55 | The adiabatic temperature change DTad of a Mn1.3Fe0.7P0.5Si0.55 Fe2P-type
alloy was measured under different magnetic field-sweep rates from 0.93 Ts-1 to
2870 Ts-1. We find a field-sweep-rate independent magnetocaloric effect due to
a partial alignment of magnetic moments in the paramagnetic region overlapping
with the... | 1907.02307v1 |
2019-07-06 | Proof of the feasibility of a nanocell-based wide-range optical magnetometer | We present an experimental scheme performing scalar magnetometry based on the
fitting of Rb D$_2$ line spectra recorded by derivative selective reflection
spectroscopy from an optical nanometric-thick cell. To demonstrate its
efficiency, the magnetometer is used to measure the inhomogeneous magnetic
field produced by a... | 1907.03106v1 |
2019-07-10 | Temperature dependence of magnetic resonance in ferrimagnetic GdFeCo alloys | We provide a macroscopic theory and experimental results for magnetic
resonances of antiferromagnetically-coupled ferrimagnets. Our theory, which
interpolates the dynamics of antiferromagnets and ferromagnets smoothly, can
describe ferrimagnetic resonances across the angular momentum compensation
point. We also present... | 1907.04540v1 |
2019-07-11 | Structural properties of Co$_{2}$TiSi films on GaAs(001) | Co$_{2}$TiSi films were grown by molecular beam epitaxy on GaAs(001) and
analyzed using reflection high-energy electron diffraction, and electron
microscopy. In addition, X-ray diffraction was combined with lattice parameter
calculations by density functional theory comparing the \textit{L$2_1$} and
\textit{B}2 structu... | 1907.05238v1 |
2019-07-19 | A Koopmans-compliant screened exchange potential with correct asymptotic behavior for semiconductors | The performance of density functional theory depends largely on the
approximation applied for the exchange functional. We propose here a novel
screened exchange potential for semiconductors, with parameters based on the
physical properties of the underlying microscopic screening and obeying the
requirements for proper ... | 1907.08404v5 |
2019-07-25 | Stainless Steel Surface Structure and Initial Oxidation at Nanometric and Atomic Scales | The durability of passivable metals and alloys is often limited by the
stability of the surface oxide film, the passive film, providing
self-protection against corrosion in aggressive environments. Improving this
stability requires to develop a deeper understanding of the surface structure
and initial surface reactivit... | 1907.10911v1 |
2019-07-25 | Multipolar order and excitations in rare-earth boride Kondo systems | We review the cubic rare-earth boride series which displays diverse
electronic states like localized 4f electron multiplets split by the crystal
electric field (CEF), itinerant heavy-fermion quasiparticle bands of the Kondo
lattice as well as gapped Kondo insulator or mixed-valent semiconductor states.
Fairly exotic st... | 1907.10967v1 |
2019-07-27 | High CO2-tolerance oxygen permeation dual-phase membranes Ce0.9Pr0.1O2-δ-Pr0.6Sr0.4Fe0.8Al0.2O3-δ | High stability and oxygen permeability are two prominent requirements for the
oxygen transport membrane candidates used as industrialization. Herein, we
report several composite membranes based on
xwt.%Ce0.9Pr0.1O2(CPO)-(100-x)wt.%Pr0.6Sr0.4Fe0.8Al0.2O3(PSFAO) (x = 50, 60 and
75) prepared via a modified Pechini method.... | 1907.11923v1 |
2019-07-27 | Microwave derived monoclinic Ba1-xSnxNb2O6 materials as an alternative of ITO | Microwave synthesis was optimized for preparing novel monoclinic Tin-doped
Barium Niobate ceramics (Ba1-xSnxNb2O6; x= 0.0, 0.01, 0.05, 0.1, 0.2, 0.3) BSN.
The intensity of monoclinic phase formation was observed to decrease on
increasing tin as dopant indicating decreased crystallinity. Strained
crystalline phase was o... | 1907.11946v1 |
2019-07-31 | Carrier free long-range magnetism in Mo doped one quintuple layer Bi2Te3 and Sb2Te3 | One of the keys to the realization of Quantum Anomalous Hall effect (QAHE) is
long range ferromagnetism, which is only experimentally realized in Cr or V
doped (Bi,Sb)2Te3 system. Both elements are 3d transition metals and 4d
transition metals are found to be ineffective to produce long range
ferromagnetism in Bi2Se3. ... | 1907.13282v1 |
2019-10-01 | Skyrmions in CeFeB Amorphous Nanodisks | Rare earth Fe B permanent magnets are usually used because of their excellent
magnetic performance at room temperature. The high price of these elements
pushes some researchers to find new alternatives. From rare earth elements
cerium (Ce) is considered as the most abundant and cheap, therefore, the
interest was focuse... | 1910.00302v1 |
2019-10-07 | Built-in electric field induces polarization rotation in bilayer BiFeO3/(Ba,Sr)TiO3 thin films | The crystal structure of BiFeO3/BaxSr1-xTiO3 (BFO/BST) heterostructures with
x = 0.2, 0.6 and 0.8, grown on single-crystal MgO (001) substrate was
investigated by x-ray diffraction and Raman spectroscopy in order to determine
the influence of mismatch-induced strains and spontaneous polarization in BST
buffer layers on... | 1910.02681v1 |
2019-10-09 | Effective medium approach in the renormalization group theory of phase transitions | An effective medium approach similar to the coherent potential approximation
(CPA) in the theory of disordered alloys and to the DMFT has been extended to
the renormalization group equations in the local potential approximation (LPA).
Non-universal characteristics of the second order phase transitions such as the
criti... | 1910.05123v1 |
2019-10-15 | Spontaneous photo-generated carrier separation of SnO/BiOX (X=Cl, Br, I) bilayer under visible light irradiation for water splitting | Alloying in 2D materials plays a more and more important role due to wide
range bandgap tunability and integrating the advantages of HER and OER. Here,
the novel bilayers of SnO/BiOX (X= Cl, Br and I) bilayer are constructed to
integrate the advantages of narrow bandgap and separating photo-generated
carriers. The band... | 1910.06543v1 |
2019-10-04 | Mechanical modeling of superelastic tensegrity braces for earthquake-proof structures | This paper presents a novel application of tensegrity systems as lightweight
and noninvasive braces for seismically resistant structures. The analyzed
braces consist of D-bar systems equipped with shape memory alloy cables with
superelastic response. These structures are able to markedly amplify the
applied longitudina... | 1910.07080v1 |
2019-10-16 | The Carbon State in Dilute Germanium Carbides | Conduction and valence band states for the highly mismatched alloy (HMA) Ge:C
are projected onto Ge crystal states, Ge vacancy states, and Ge/C atomic
orbitals, revealing that substitutional carbon not only creates a direct
bandgap, but the new conduction band is optically active. Overlap integrals of
the new Ge:C cond... | 1910.07258v1 |
2019-10-17 | Substoichiometric ultrathin zirconia films cause strong metal-support interaction | The strong metal-support interaction (SMSI) leads to substantial changes of
the properties of an oxide-supported catalyst after annealing under reducing
conditions. The common explanation is the formation of heavily reduced,
ultrathin oxide films covering metal particles. This is typically encountered
for reducible oxi... | 1910.07798v1 |
2019-10-17 | Robust cluster expansion of multicomponent systems using structured sparsity | Identifying a suitable set of descriptors for modeling physical systems often
utilizes either deep physical insights or statistical methods such as
compressed sensing. In statistical learning, a class of methods known as
structured sparsity regularization seeks to combine both physics- and
statistics-based approaches. ... | 1910.08086v1 |
2019-10-23 | Numerical and Experimental Investigation of Electro-Vortex Flow in a Cylindrical Container | In a cylindrical container filled with an eutectic GaInSn alloy, an
electro-vortex flow (EVF) is generated by the interaction of a non-uniform
current with its own magnetic field. In this paper, we investigate the EVF
phenomenon numerically and experimentally. Ultrasound Doppler Velocimetry (UDV)
is applied to measure ... | 1910.10454v1 |
2019-10-28 | Delta-doped \b{eta}-Ga2O3 thin films and \b{eta}-(Al0.26Ga0.74)2O3/\b{eta}-Ga2O3 heterostructures grown by metalorganic vapor-phase epitaxy | We report on silicon delta doping of metalorganic vapor-phase epitaxy-grown
\b{eta}-Ga2O3 thin films using silane precursor. Delta-doped \b{eta}-Ga2O3
epitaxial films are characterized using capacitance-voltage profiling and
secondary-ion mass spectroscopy. Electron sheet charge density in the range of
2.9e12 cm-2 to 8... | 1910.12432v2 |
2012-09-05 | Metallic spin-glasses beyond mean-field: An approach to the impurity-concentration dependence of the freezing temperature | A relation between the freezing temperature ($T^{}_{\rm g}$) and the exchange
couplings ($J^{}_{ij}$) in metallic spin-glasses is derived, taking the
spin-correlations ($G^{}_{ij}$) into account. This approach does not involve a
disorder-average. The expansion of the correlations to first order in
$J^{}_{ij}/T^{}_{\rm ... | 1209.0926v7 |
2012-09-05 | First-principles study of elastic properties of Cr-Al-N | The elastic properties of paramagnetic cubic B1 (c-) Cr1-xAlxN ternary alloys
are studied using stress-strain and energy-strain methods within the framework
of Density Functional Theory (DFT). A strong compositional dependence of the
elastic properties is predicted. Young's modulus, E, and shear modulus, G,
exhibit the... | 1209.0955v1 |
2012-09-06 | Thermodynamic Comparison and the Ideal Glass Transition of A Monatomic Systems Modeled as an Antiferromagnetic Ising Model on Husimi and Cubic Recursive Lattices of the Same Coordination Number | Two kinds of recursive lattices with the same coordination number but
different unit cells (2-D square and 3-D cube) are constructed and the
antiferromagnetic Ising model is solved exactly on them to study the stable and
metastable states. The Ising model with multi-particle interactions is designed
to represent a mona... | 1209.2090v2 |
2012-09-13 | The spin Hall effect as a probe of nonlinear spin fluctuations | The spin Hall effect and its inverse play key roles in spintronic devices
since they allow conversion of charge currents to and from spin currents. The
conversion efficiency strongly depends on material details, such as the
electronic band structure and the nature of impurities. Here we show an anomaly
in the inverse s... | 1209.2799v1 |
2012-09-13 | Origin of the Superior Conductivity of Perovskite Ba(Sr)SnO3 | ASnO3 (A=Ba, Sr) are unique perovskite oxides in that they have superior
electron conductivity despite their wide optical band gaps. Using
first-principles band structure calculations, we show that the small electron
effective masses, thus, good electron conductivity of ASnO3 can be attributed
to the large size of Sn i... | 1209.2845v3 |
2012-09-20 | A Response Embedded Atom Method of Interatomic Potentials | The embedded atom method (EAM) potentials are probably the most widely used
interatomic potentials for metals and alloys. However, the EAM potentials
impose three constraints on elastic constants that are inconsistent with
experiments. At a more subtle (but more important) level, the EAM potentials
often incorrectly de... | 1209.4568v1 |
2012-09-22 | Origin of perpendicular magneto-crystalline anisotropy in L10-FeNi under tetragonal distortion | We investigated the origin of perpendicular magneto-crystalline anisotropy
(MCA) in L10 ordered FeNi alloy using first-principles density-functional
calculations. We found that the perpendicular MCA of L10-FeNi arises
predominantly from the constituent Fe atoms, which is consistent with recent
measurements of the aniso... | 1209.5003v2 |
2012-09-23 | Existence, Uniqueness and Anisotropic-Decay-Caused Lifshitz Tails of the Integrated Density of Surface States for Random Surface Models | The current paper is devoted to the study of existence, uniqueness and
Lifshitz tails of the integrated density of surface states (IDSS) for
Schr\"{o}dinger operators with alloy type random surface potentials. We prove
the existence and uniqueness of the IDSS for negative energies, which is
defined as the thermodynamic... | 1209.5092v1 |
2012-09-24 | Coherent reaction of Fermi superfluid on correlated disorder | Motivated by the disparity between the experimentally observed properties of
superfluid 3He in aerogel and predictions of the Abrikosov and Gorkov theory of
superconducting alloys we consider effect of correlated pair-breaking
impurities on the temperature dependence of the square of magnitude of the
average order para... | 1209.5172v2 |
2012-09-26 | Topological electronic structure and Weyl semimetal in the TlBiSe$_2$ class of semiconductors | We present an analysis of bulk and surface electronic structures of thallium
based ternary III-V-VI$_2$ series of compounds TlMQ$_2$, where M=Bi or Sb and
Q=S, Se or Te, using the ab initio density functional theory framework. Based
on parity analysis and (111) surface electronic structure, we predict
TlSbSe$_2$, TlSbT... | 1209.5896v1 |
2014-06-01 | Parameters of microdiffusion in f.c.c.-Ni-Mo solid solutions | The time evolution of diffuse X-ray scattering intensities conditioned by the
short-range order (SRO) in Ni-Mo solid solutions is investigated. As shown, the
transition from a quenched (nonequilibrium) state to the equilibrium one is
accompanied by the complex time reorganization of various SRO types. Computer
simulati... | 1406.0144v1 |
2014-06-01 | Microscopic approach to the evaluation of diffusion coefficients for substitutional f.c.c. solid solutions | The microscopic theory of atomic diffusion kinetics is used for f.c.c.
substitutional solid solutions. Within this approach, the short-range order
relaxation is due to the atomic migration. Experimental data on the time
dependence of radiation diffuse scattering are used for the determination of
microscopic characteris... | 1406.0145v1 |
2014-06-03 | Muon spin rotation and relaxation in Pr$_{1-x}$Nd$_x$Os$_4$Sb$_{12}$: Paramagnetic states | Positive-muon ($\mu^+$) Knight shifts have been measured in the paramagnetic
states of Pr$_{1-x}$Nd$_x$Os$_4$Sb$_{12}$ alloys, where $x =$ 0, 0.25, 0.45,
0.50, 0.55, 0.75, and 1.00. In Pr-substituted NdOs$_4$Sb$_{12}$ ($x \le$ 0.75),
but not in NdOs$_4$Sb$_{12}$, Clogston-Jaccarino plots of $\mu^+$ Knight
shift~$K$ ver... | 1406.0903v1 |
2014-06-06 | Convective nonlocal Cahn-Hilliard equations with reaction terms | We introduce and analyze the nonlocal variants of two Cahn-Hilliard type
equations with reaction terms. The first one is the so-called
Cahn-Hilliard-Oono equation which models, for instance, pattern formation in
diblock-copolymers as well as in binary alloys with induced reaction and type-I
superconductors. The second ... | 1406.1684v2 |
2014-06-16 | The role of stoichiometric vacancy periodicity in pressure-induced amorphization of the Ga2SeTe2 semiconductor alloy | We observe that pressure-induced amorphization of Ga2SeTe2 (a III-VI
semiconductor) is directly influenced by the periodicity of its intrinsic
defect structures. Specimens with periodic and semi-periodic two-dimensional
vacancy structures become amorphous around 10-11 GPa in contrast to those with
aperiodic structures,... | 1406.3923v1 |
2014-06-17 | Theory of a quodon gas. With application to precipitation kinetics in solids under irradiation | Rate theory of the radiation-induced precipitation in solids is modified with
account of non-equilibrium fluctuations driven by the gas of lattice solitons
(a.k.a. quodons) produced by irradiation. According to quantitative
estimations, a steady-state density of the quodon gas under sufficiently
intense irradiation can... | 1406.4314v1 |
2014-06-20 | Anomalous Hall Effect in Ge(1-x-y)Pb(x)Mn(y)Te Composite System | The purpose of this study was to investigate the magnetotransport properties
of the Ge(0.743)Pb(0.183)Mn(0.074)Te mixed crystal. The results of
magnetization measurements indicated that the compound is a spin-glass-like
diluted magnetic semiconductor with critical temperature TSG = 97.5 K.
Nanoclusters in the sample ar... | 1406.5294v1 |
2014-06-23 | Theoretical study of the thermoelectric properties of SiGe nanotubes | The thermoelectric properties of two typical SiGe nanotubes are investigated
using a combination of density functional theory, Boltzmann transport theory,
and molecular dynamics simulations. Unlike carbon nanotubes, these SiGe
nanotubes tend to have gear-like geometry, and both the (6, 6) and (10, 0)
tubes are semicond... | 1406.5832v1 |
2018-02-01 | Laser induced breakdown spectroscopy for multielement analysis of powder materials utilized in additive technologies | Powder materials utilized in additive technologies were quantitatively
analyzed by laser induced breakdown spectroscopy for the first time. Laser
induced breakdown spectroscopy mapping of loose metal powder attached to the
double-sided adhesive tape provided high reproducibility of measurements even
for powder mixtures... | 1802.00236v1 |
2018-02-10 | Constructing first-principles phase diagrams of amorphous LixSi using machine-learning-assisted sampling with an evolutionary algorithm | The atomistic modeling of amorphous materials requires structure sizes and
sampling statistics that are challenging to achieve with first-principles
methods. Here, we propose a methodology to speed up the sampling of amorphous
and disordered materials using a combination of a genetic algorithm and a
specialized machine... | 1802.03548v1 |
2018-02-14 | Limit Theorems for the Alloy-type Random Energy Model | In this paper, we consider limit laws for the model, which is a
generalisation of the random energy model (REM) to the case when the energy
levels have the mixture distribution. More precisely, the distribution of the
energy levels is assumed to be a mixture of two normal distributions, one of
which is standard normal,... | 1802.05071v1 |
2018-02-13 | From mean-field localized magnetism to itinerant spin fluctuations in the "Non-metallic metal" - FeCrAs | FeCrAs displays an unusual electrical response that is neither metallic in
character nor divergent at low temperatures, as expected for an insulating
response, and therefore it has been termed a "nonmetal-metal". We carried out
neutron scattering experiments on powder and single crystal samples to study
the magnetic dy... | 1802.05271v2 |
2018-02-15 | Covariance Function Pre-Training with m-Kernels for Accelerated Bayesian Optimisation | The paper presents a novel approach to direct covariance function learning
for Bayesian optimisation, with particular emphasis on experimental design
problems where an existing corpus of condensed knowledge is present. The method
presented borrows techniques from reproducing kernel Banach space theory
(specifically m-k... | 1802.05370v2 |
2018-02-15 | High Dimensional Bayesian Optimization Using Dropout | Scaling Bayesian optimization to high dimensions is challenging task as the
global optimization of high-dimensional acquisition function can be expensive
and often infeasible. Existing methods depend either on limited active
variables or the additive form of the objective function. We propose a new
method for high-dime... | 1802.05400v1 |
2018-02-15 | Damping's effect on the magnetodynamics of spin Hall nano-oscillators | We study the impact of spin wave damping ($\alpha$) on the auto-oscillation
properties of nano-constriction based spin Hall nano-oscillators (SHNOs). The
SHNOs are based on a 5 nm Pt layer interfaced to a 5 nm
Py$_{100-x-y}$Pt$_{x}$Ag$_{y}$ magnetic layer, where the Pt and Ag contents are
co-varied to keep the saturati... | 1802.05548v1 |
2018-02-21 | Influence of surface stoichiometry and quantum confinement on the electronic structure of small diameter InxGa1-xAs nanowires | Electronic structures for InxGa1-xAs nanowires with [100], [110], and [111]
orientations and critical dimensions of approximately 2 nm are treated within
the framework of density functional theory. Explicit band structures are
calculated and properties relevant to nanoelectronic design are extracted
including band gaps... | 1802.07848v1 |
2018-02-21 | Work of a multi-cathode counter in a single electron counting mode | We describe a work of a multi-cathode counter of the developed design in a
single electron counting mode with a cathode made of aluminum alloy. The
results of the calibration of the counter are presented. The coefficient of gas
amplification was found from the calibration spectra. The electric fields and
operation of t... | 1802.07879v2 |
2018-02-22 | Thermally driven anomalous Hall effect transitions in FeRh | Materials exhibiting controllable magnetic phase transitions are currently in
demand for many spintronics applications. Here we investigate from first
principles the electronic structure and intrinsic anomalous Hall, spin Hall and
anomalous Nernst response properties of the FeRh metallic alloy which undergoes
a thermal... | 1802.08208v1 |
2018-02-26 | Simulation of Thin-TFETs Using Transition Metal Dichalcogenides: Effect of Material Parameters, Gate Dielectric on Electrostatic Device Performance | In recent years, a lot of scientific research effort has been put forth for
the investigation of Transition Metal Dichalcogenides (TMDC) and other Two
Dimensional (2D) materials like Graphene, Boron Nitride. Theoretical
investigation on the physical aspects of these materials has revealed a whole
new range of exciting ... | 1802.09140v1 |
2018-08-03 | Influence of the AlN interlayer thickness on the photovoltaic properties of In-rich AlInN on Si heterojunctions deposited by RF sputtering | We report the influence of the AlN interlayer thickness (0-15 nm) on the
photovoltaic properties of Al0.37In0.63N on Si heterojunction solar cells
deposited by radio frequency sputtering. The poor junction band alignment and
the presence of a 2-3 nm thick amorphous layer at the interface mitigates the
response in devic... | 1808.01117v1 |
2018-08-06 | Short Note on Superconductivity at Ambient Temperature and Pressure in Silver Embedded Gold Nano-particles: A Goldsmith job ahead | Very recent observation of superconductivity in both transport (resistance
versus temperature) and magnetization (Zero field cooled) at around 235 K has
obviously raised many eyebrows. The experimental fraternity in particular is
more thrilled. Although the results presented in the paper are clean and both
transport an... | 1808.01797v2 |
2018-08-04 | Probing multipulse laser ablation by means of self-mixing interferometry | In this work, self-mixing interferometry (SMI) is implemented inline to a
laser microdrilling system to monitor the machining process by probing the
ablation-induced plume. An analytical model based on the Sedov-Taylor blast
wave equation is developed for the expansion of the process plume under
multiple-pulse laser pe... | 1808.02015v2 |
2018-08-16 | Superconductivity in the Bi/Ni bilayer | Motivated by the recent observations of possible p-wave superconductivity in
the bismuth-nickel (Bi/Ni) bilayer, we explore theoretically the possibilities
of realizing p-wave superconductivity in this bilayer. We begin with a
literature survey on this system and related materials which have similar
superconducting tra... | 1808.05333v2 |
2018-08-22 | Polarization properties of wurtzite III nitride indicate the principle of polarization engineering | The spontaneous and piezoelectric polarizations of III-nitrides considerably
affect the operation of various III-nitride-based devices. We report an ab
initio study of the spontaneous polarization (SP) and piezoelectric (PZ)
constants of the III-nitride binary and ternary alloys with the hexagonal
reference structure. ... | 1808.07211v4 |
2018-08-27 | Theoretical approach to the ductile fracture of polycrystalline solids | It is shown here that fracture after a brief plastic strain, typically of a
few percents, is a necessary consequence of the polycrystalline nature of the
materials. The polycrystal undergoing plastic deformation is modeled as a
flowing continuum of random deformable polyhedra, representing the grains,
which fill the sp... | 1808.08670v1 |
2018-08-27 | Sign Reversal and Tunability of Exchange Bias in Nanoscale AuFe Alloy Film: A New Material for Spintronic Application | We report here sign reversal and tunability of exchange bias in AuFe
cosputtered films of thickness about 63 nm. As deposited film exhibits exchange
bias effect at room temperature without external triggering field and its
magnitude increases gradually with decrease in temperature down to 5 K. Upon
irradiation with 100... | 1808.08694v1 |
2018-08-29 | Synthesizing Cu-Sn nanowires alloy in highly-ordered Aluminum Oxide templates by using electrodeposition method | In this research a novel and simple electrochemical method is developed in
order to facilitate the large-scale production of nanowires. The proposed
electrochemical technique shows versatile controllability over chemical
composition and crystalline structure of Cu-Sn nanowires. Another important
factor, which could be ... | 1808.09838v1 |
2018-08-30 | Interfacial Energy of Copper Clusters in Fe-Si-B-Nb-Cu alloys | Using a combination of numerical simulations and atom-probe tomography
experiments, we determine the interfacial energy of Cu nanocrystals
precipitated within the amorphous matrix of FINEMET (molar composition
Fe72.89Si16.21B6.90Nb3Cu1). Specifically, we use the Langer-Schwartz model
implemented in the software Thermoc... | 1808.10525v3 |
2018-08-31 | Renormalizations in unconventional superconducting states of Ce$_{1-x}$Yb$_{x}$CoIn$_{5}$ | We have measured the superconducting penetration depth~$\Lambda(T)$ in the
heavy-fermion/intermediate-valent superconducting alloy
series~Ce$_{1-x}$Yb$_x$CoIn$_5$ using transverse-field muon spin relaxation, to
study the effect of intermediate-valent Yb doping on Fermi-liquid
renormalization. From $\Lambda(T)$ we deter... | 1808.10606v2 |
2018-12-05 | Quantum mechanics basis of quality control in hard metals | Non-destructive and reliable quality control methods are a key aspect to
designing, developing and manufacturing new materials for industrial
applications and new technologies. The measurement of the magnetic saturation
is one of such methods and it is conventionally employed in the cemented
carbides industry. We prese... | 1812.01960v1 |
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