publicationDate stringlengths 1 2.79k | title stringlengths 1 36.5k ⌀ | abstract stringlengths 1 37.3k ⌀ | id stringlengths 9 47 |
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2017-09-15 | Atomic theory of viscoelastic response and memory effects in metallic glasses | An atomic-scale theory of the viscoelastic response of metallic glasses is
derived from first principles, using a Zwanzig-Caldeira-Leggett system-bath
Hamiltonian as a starting point within the framework of nonaffine linear
response to mechanical deformation. This approach provides a
Generalized-Langevin-Equation (GLE)... | 1709.05290v1 |
2017-09-18 | Focused electron beam induced deposition meets materials science | Focused electron beam induced deposition (FEBID) is a direct-write method for
the fabrication of nanostructures whose lateral resolution rivals that of
advanced electron lithography but is in addition capable of creating complex
three-dimensional nano-architectures. Over the last decade several new
developments in FEBI... | 1709.05835v1 |
2017-09-28 | High-pressure cell for simultaneous dielectric and neutron spectroscopy | In this article we report on the design, manufacture and testing of a
high-pressure cell for doing simultaneous dielectric and neutron spectroscopy.
This cell is a unique tool for studying dynamics on different timescales, from
kilo- to picoseconds, covering universal features such as the alpha relaxation
and fast vibr... | 1709.09859v1 |
2017-11-09 | Synthesis, processing and transport properties of cubic and trigonal solid solutions in the Mg-Si-Sn system | Mg-Si-Sn solid solutions have interesting and useful semiconducting
properties particularly for thermoelectric applications. While cubic solid
solutions have been prepared by a variety of methods, solid solutions with a
trigonal crystal structure have not been reported. We employed a combination of
high energy ball mil... | 1711.03618v1 |
2017-11-20 | Characterisation of p-type ZnS:Cu transparent conducting films fabricated by high-temperature pulsed laser deposition | Copper-doped zinc sulphide (ZnS:Cu) thin films were synthesized through
pulsed laser ablation in an inert background gas on stationary and rotating
substrates, and a comprehensive opto-electrical characterisation is presented.
The Cu$_x$Zn$_{1-x}$S films demonstrated comparable conductivity and
transparency to other le... | 1711.07579v1 |
2017-12-11 | Gate control of spin-polarized conductance in alloyed transition metal nano-contacts | To date, endeavors in nanoscale spintronics are dominated by the use of
single-electron or single-spin transistors having at their heart a
semiconductor, metallic or molecular quantum dot who's localized states are
non-spin-degenerate and can be controlled by an external bias applied via a
gate electrode. Adjusting the... | 1712.03884v1 |
2017-12-12 | CALPHAD modeling and ab initio calculations of the Np-U-Zr system | Phase diagram of Np-U-Zr, a key ternary alloy system of relevance for
metallic nuclear fuels, is still largely undetermined. Here a thermodynamic
model for the Np-U-Zr system is developed based on Muggianu extrapolation of
our models for the U-Zr, Np-Zr, and Np-U binary systems, all employing the
CALculation of PHAse D... | 1712.04246v1 |
2017-12-13 | Nanoscale Magnetic Behavior Localization in Exchange Strength Modulated Ferromagnets | Although ferromagnetism is in general a long-range collective phenomenon, it
is possible to induce local spatial variations of magnetic properties in
ferromagnetic materials. For example, systematic variation of the exchange
coupling strength can be used to create systems that behave as if they are
comprised of virtual... | 1712.04998v2 |
2017-12-19 | Spontaneous and mass-conserved formation of continuous Si frameworks | Controlled formation of porous silicon has been of primary importance for
numerous landmark applications such as light emitting sources, sensors,
actuators, drug delivery systems, and energy storage applications. Frequently
explored methods to form the structures have long relied on selective etching
of silicon, which ... | 1712.07038v1 |
2018-01-02 | Mechanical, optoelectronic and transport properties of single-layer Ca2N and Sr2N electrides | Electride materials offer attractive physical properties due to their loosely
bound electrons. Ca2N, an electride in the two-dimensional (2D) form was
successfully recently synthesized. We conducted extensive first-principles
calculations to explore the mechanical, electronic, optical and transport
response of single-l... | 1801.01038v1 |
2018-01-20 | Langevin dynamics with spatial correlations as a model for electron-phonon coupling | Stochastic Langevin dynamics has been traditionally used as a tool to
describe non-equilibrium processes. When utilized in systems with collective
modes, traditional Langevin dynamics relaxes all modes indiscriminately,
regardless of their wavelength. We propose a generalization of Langevin
dynamics that can capture a ... | 1801.06610v2 |
2018-01-21 | Enhanced thermoelectric performance in Ca substituted Sr3SnO | We report 45% enhancement in the thermoelectric figure of merit, ZT of Sr3SnO
via Ca substitution. First-principles calculations have been performed to study
the electronic and thermoelectric transport properties of Ca substituted Sr3SnO
(Sr3-xCaxSnO). The effects of Ca subtitution on bandgap are studied and
detailed m... | 1801.06899v2 |
2018-03-07 | Magnetoresistance in Hybrid Pt/CoFe2O4 Bilayers Controlled by Competing Spin Accumulation and Interfacial Chemical Reconstruction | Pure spin currents hold promises for an energy-friendlier spintronics. They
can be generated by a flow of charge along a non-magnetic metal having a large
spin-orbit coupling. It produces a spin accumulation at its surfaces,
controllable by the magnetization of an adjacent ferromagnetic layer.
Paramagnetic metals typic... | 1803.02611v1 |
2018-03-08 | Blurring the boundaries between topological and non-topological phenomena in dots | We investigate the electronic and transport properties of topological and
trivial InAs$_{1-x}$Bi$_x$ quantum dots (QDs). By considering the rapid band
gap change within valence band anticrossing theory for InAs$_{1-x}$Bi$_x$, we
predicted that Bi-alloyed quantum wells become $\sim 30$meV gapped 2D
topological insulator... | 1803.02936v1 |
2018-03-09 | Cosmic History and a Candidate Parent Asteroid for the Quasicrystal-bearing Meteorite Khatyrka | The unique CV-type meteorite Khatyrka is the only natural sample in which
"quasicrystals" and associated crystalline Cu,Al-alloys, including khatyrkite
and cupalite, have been found. They are suspected to have formed in the early
Solar System. To better understand the origin of these exotic phases, and the
relationship... | 1803.03513v1 |
2018-03-10 | Observation of Chiral character deep in the topological insulating regime in Bi$_{1-x}$Sb$_x$ | Bi$_{1-x}$Sb$_x$ is a topological insulator (TI) for $x \approx 0.03
$--$0.20$. Close to the Topological phase transition at $x = 0.03$, a magnetic
field induced Weyl semi-metal (WSM) state is stabilized due to the splitting of
the Dirac cone into two Weyl cones of opposite chirality. A signature of the
Weyl state is t... | 1803.03825v1 |
2018-03-11 | Void growth and coalescence in irradiated copper under deformation | A decrease of fracture toughness of irradiated materials is usually observed,
as reported for austenitic stainless steels in Light Water Reactors (LWRs) or
copper alloys for fusion applications. For a wide range of applications (e.g.
structural steels irradiated at low homologous temperature), void growth and
coalescen... | 1803.03983v1 |
2018-03-14 | The use of the Rietveld method and pairs distribution function analysis to study the pressure dependence of the trigonal SnSe2 and SnS2 structure | A nanostructured trigonal SnSe2 was produced by mechanical alloying, and the
effect of high-pressures up to 25.8 GPa on it was investigated. The literature
reports refined structural data for SnS2 for pressures up to 20 GPa. These data
were used as input data in a crystallographic software to calculate the shell
struct... | 1803.05430v1 |
2018-03-15 | Diffuson contribution to anomalous Hall effect in disordered Co2FeSi thin films | A wide variation in the disorder strength, as inferred from an order of
magnitude variation in the longitudinal resistivity of Co2FeSi (CFS) Huesler
alloy thin films of fixed (50 nm) thickness, has been achieved by growing these
films on Si(111) substrates at substrate temperatures ranging from room
temperature (RT) to... | 1803.05590v1 |
2018-05-01 | Band Alignment in Quantum Wells from Automatically Tuned DFT+$U$ | Band alignment between two materials is of fundamental importance for
multitude of applications. However, density functional theory (DFT) either
underestimates the bandgap - as is the case with local density approximation
(LDA) or generalized gradient approximation (GGA) - or is highly
computationally demanding, as is ... | 1805.00455v1 |
2018-05-08 | Towards 'Pt-free' Anion-Exchange Membrane Fuel Cells: Fe-Sn Carbon Nitride-Graphene 'Core-Shell' Electrocatalysts for the Oxygen Reduction Reaction | We report on the development of two new Pt-free electrocatalysts (ECs) for
the oxygen reduction reaction (ORR) based on graphene nanoplatelets (GNPs). We
designed the ECs with a core-shell morphology, where a GNP core support is
covered by a carbon nitride (CN) shell. The proposed ECs present ORR active
sites that are ... | 1805.03119v1 |
2018-05-22 | FMR-related phenomena in spintronic devices | Spintronic devices, such as non-volatile magnetic random access memories and
logic devices, have attracted considerable attention as potential candidates
for future high efficient data storage and computing technology. In a heavy
metal or other emerging material with strong spin-orbit coupling (SOC), the
charge current... | 1805.08496v1 |
2018-05-29 | The effect of energy-dependent electron scattering on thermoelectric transport in novel topological semimetal CoSi | These compounds have long been known as promising thermoelectric materials.
Recently it was revealed, that they also have unconventional electronic
topology. This renewed interest to the investigation of their transport
properties. In order to improve theoretical description of thermoelectric
transport in these compoun... | 1805.11334v4 |
2018-06-01 | Localization of phonons in mass disordered alloys - A typical medium dynamical cluster approach | The effect of disorder on lattice vibrational modes has been a topic of
interest for several decades. In this work, we employ a Green's function based
approach, namely the dynamical cluster approximation (DCA), to investigate
phonons in mass disordered systems. Detailed benchmarks with previous exact
calculations are u... | 1806.00282v2 |
2018-06-01 | Machine learning materials physics: Surrogate optimization and multi-fidelity algorithms predict precipitate morphology in an alternative to phase field dynamics | Machine learning has been effective at detecting patterns and predicting the
response of systems that behave free of natural laws. Examples include learning
crowd dynamics, recommender systems and autonomous mobility. There also have
been applications to the search for new materials that bear relations to big
data clas... | 1806.00503v4 |
2018-06-05 | Precision manufacturing of a lightweight mirror body made by selective laser melting | This article presents a new and individual way to generate opto-mechanical
components by Additive Manufacturing, embedded in an established process chain
for the fabrication of metal optics. The freedom of design offered by additive
techniques gives the opportunity to produce more lightweight parts with
improved mechan... | 1806.01591v1 |
2018-06-07 | High Performance Metallic Amorphous Magnetic Flake-based Magnetodielectric Inductors | Flake-shaped FeSi-based metallic amorphous alloy particles, having an aspect
ratio as high as 175 to 1, were prepared by ball milling gas atomized amorphous
powders of an effective diameter of 20 micrometers. The starting powder had a
saturation magnetic flux density, Bs, of 1.5 T and a coercivity, Hc, of 94 A/m.
The a... | 1806.02486v2 |
2018-06-08 | Development of next generation LLRF control system for J-PARC rapid cycling synchrotron | The low level rf (LLRF) control system for the rapid cycling synchrotron
(RCS) of the Japan Proton Accelerator Research Complex (J-PARC) started its
operation in 2007. The key functions of the LLRF control system are the dual
harmonic auto voltage control, which generates superposed voltages of the
fundamental accelera... | 1806.03015v1 |
2018-06-11 | Slow diffusion and long lifetime in metal halide perovskites for photovoltaics | Metal halide perovskites feature excellent absorption, emission and charge
carrier transport properties. These materials are therefore very well suited
for photovoltaics applications where there is a growing interest. Still,
questions arise when looking at the unusual long carrier lifetime that,
regarding the micrometr... | 1806.04248v2 |
2018-06-17 | Modeling tunnel field effect transistors - from interface chemistry to non-idealities to circuit level performance | We present a quasi-analytical model for Tunnel Field Effect Transistors
(TFETs) that includes the microscopic physics and chemistry of interfaces and
non-idealities. The ballistic band-to-band tunneling current is calculated by
modifying the well known Simmons equation for oxide tunneling, where we
integrate the Wentze... | 1806.06331v3 |
2018-09-06 | Limits of surface analysis of thin film compounds using LEIS | Low Energy Ion Scattering (LEIS) was employed to study the surface
composition of thin films of Ru on B, C and B4C films at different stages of
growth. Effects of surface segregation of C were observed. Previously unknown
matrix effects were observed in these samples, expressed in the decrease of
LEIS signals of Ru, B ... | 1809.01918v1 |
2018-09-06 | Combined effects of nonmetallic impurities and planned metallic dopants on grain boundary energy and strength | Most research on nanocrystalline alloys has been focused on planned doping of
metals with other metallic elements, but nonmetallic impurities are also
prevalent in the real world. In this work, we report on the combined effects of
metallic dopants and nonmetallic impurities on grain boundary energy and
strength using f... | 1809.02217v3 |
2018-09-10 | Nature of glassy magnetic state in magnetocaloric materials Dy5Pd2-xNix (x = 0 and 1) and universal scaling analysis of R5Pd2 (R = Tb, Dy and Er) | We report a systematic investigation of the magnetic and magnetocaloric
properties of Dy5Pd2 and Dy5PdNi. Our study on these compounds gave evidence
that they exhibit complex magnetic behaviour along with the presence of
glass-like magnetic phase. Furthermore, in these compounds both second order
and first order phase ... | 1809.03249v1 |
2018-09-17 | Band Structure Theory of the BCC to HCP Burgers Distortion | The Burgers distortion is a two-stage transition between body centered cubic
(BCC) and hexagonal close-packed (HCP) structures. Refractory metal elements
from the Sc and Ti columns of the periodic table (BCC/HCP elements) form BCC
structures at high temperatures but transition to HCP at low temperatures via
the Burgers... | 1809.06429v1 |
2018-09-20 | Phase components in Zr7Ni10 and Hf7Ni10 binary alloys; investigations by perturbed angular correlation spectroscopy and first principles calculations | Intermetallic compounds Zr7Ni10 and Hf7Ni10 have been studied by perturbed
angular correlation (PAC) spectroscopy considering the fact that Zr7Ni10 has
application as hydrogen storage material in fuel cell. In stoichiometric
Zr7Ni10, the phase Zr2Ni7 is found to be dominant (~38%) while a fraction of
~25% is found for ... | 1809.08114v1 |
2018-09-27 | Self-organizing maps as a method for detecting phase transitions and phase identification | Originating from image recognition, methods of machine learning allow for
effective feature extraction and dimensionality reduction in multidimensional
datasets, thereby providing an extraordinary tool to deal with classical and
quantum models in many-body physics. In this study, we employ a specific
unsupervised machi... | 1809.10419v2 |
2018-10-24 | On the interactions of Ti${_2}$AlC, Ti${_3}$AlC${_2}$, Ti${_3}$SiC${_2}$ and Cr${_2}$AlC with palladium at 900 °C | Herein we report on the reactivity between palladium, Pd, and the MAX phases,
Ti${_2}$AlC, Ti${_3}$AlC${_2}$, Ti${_3}$SiC${_2}$ and Cr${_2}$AlC. Diffusion
couples of Pd/MAX were heated to 900 {\deg}C under uniaxial stress of ~20 MPa
for 2, 4, and 10 h in a vacuum (<1 Pa) hot press. The diffusion couples were
examined u... | 1811.00098v1 |
2018-11-08 | Mg$_{3+δ}$Sb$_x$Bi$_{2-x}$ family: A promising substitute for the start-of-art n-type thermoelectric materials near room temperature | Bi2Te3-xSex family has been the n-type start-of-the-art thermoelectric
materials near room temperatures (RT) for more than half-century, which
dominates the active cooling and novel waves harvesting application near RT.
However, the drawbacks of brittle nature and Te-containing restrict the further
applications explori... | 1811.03198v2 |
2018-11-12 | Singling out the effect of quenched disorder in the phase diagram of cuprates | We investigate the specific influence of structural disorder on the
suppression of antiferromagnetic order and on the emergence of cuprate
superconductivity. We single out pure disorder, by focusing on a series of
Y$_{z}$Eu$_{1-z}$Ba$_2$Cu$_3$O$_{6+y}$ samples at fixed oxygen content
$y=0.35$, in the range $0\le z\le 1... | 1811.04668v2 |
2019-11-04 | Enhanced upper critical field in Co-doped Ba122 superconductors by lattice defect tuning | Nanoscale defects in superconductors play a dominant role in enhancing
superconducting properties through electron scattering, modulation of coherence
length, and correlation with quantized magnetic flux. For iron-based
superconductors (IBSCs) that are expected to be employed in high-field magnetic
applications, a fund... | 1911.01080v1 |
2019-11-05 | Electron diffraction covering a wide angular range from Bragg diffraction to small-angle diffraction | We construct an electron optical system to investigate Bragg diffraction (the
crystal lattice plane, $10^{-2}$-$10^{-3}$ rad) with the objective lens turned
off by adjusting the current in the intermediate lenses. A crossover was
located on the selected-area aperture plane. Thus, the dark-field imaging can
be performed... | 1911.01677v1 |
2019-11-05 | Symmetry breaking and circular photogalvanic effect in epitaxial Cd$_x$Hg$_{1-x}$Te films | We report on the observation of symmetry breaking and the circular
photogalvanic effect in Cd$_x$Hg$_{1-x}$Te alloys. We demonstrate that
irradiation of bulk epitaxial films with circularly polarized terahertz
radiation leads to the circular photogalvanic effect (CPGE) yielding a
photocurrent whose direction reverses u... | 1911.01936v1 |
2019-11-06 | Comment on: Locally self-consistent embedding approach for disordered electronic systems | We comment on article by Yi Zhang , Hanna Terletska, Ka-Ming Tam, Yang Wang,
Markus Eisenbach, Liviu Chioncel, and Mark Jarrell [Phys. Rev. B {\bf 100},
054205 (2019)]\cite{Zhang} in which to study substitution disordered systems,
they presented an embedding scheme for the locally self-consistent method. Here
we show t... | 1911.02553v2 |
2019-11-05 | Ideal near-Dirac triple-point semimetal in III-V semiconductor alloys | Despite the growing interest in topological materials, the difficulty of
experimentally synthesizing and integrating them with other materials has been
one of the main barriers restricting access to their unique properties. Recent
advances in synthesizing metastable phases of crystalline materials can help to
overcome ... | 1911.02560v1 |
2019-11-06 | The role of formalism in system requirements (full version) | A major determinant of the quality of software systems is the quality of
their requirements, which should be both understandable and precise. Most
requirements are written in natural language, good for understandability but
lacking in precision. To make requirements precise, researchers have for years
advocated the use... | 1911.02564v6 |
2019-11-07 | Raman scattering studies of the lateral Mn distribution in MBE-grown Ga1-xMnxN epilayers | Recent interest in very thin single phase Ga1-xMnxN dilute magnetic layers
increased needs for precise, non-destructive, and relatively fast
characterization methods with key issues being the macroscopic lateral Mn
distribution and the absolute values of Mn concentration x. We report on
resonantly enhanced UV Raman sca... | 1911.02958v1 |
2019-11-11 | Dependence of transport coefficients of Yb(Rh$_{1-x}$Co$_x$)$_2$Si$_2$ intermetallics on temperature and cobalt concentration | Dependence of transport coefficients of the Yb(Rh$_{1-x}$Co$_x$)$_2$Si$_2$
series of alloys on temperature and cobalt concentration is explained by an
asymmetric Anderson model which takes into account the exchange scattering of
conduction electrons on ytterbium ions and the splitting of 4$f$-states by the
crystalline ... | 1911.04396v3 |
2019-11-13 | Two-valence band electron and heat transport in monocrystalline PbTe-CdTe solid solutions with high Cd content | High quality p-type PbTe-CdTe monocrystalline alloys containing up to 10
at.$\%$ of Cd are obtained by self-selecting vapor transport method. Mid
infrared photoluminescence experiments are performed to follow the variation of
the fundamental energy gap as a function of Cd content. The Hall mobility,
thermoelectric powe... | 1911.05387v1 |
2019-11-19 | Design of n-AlInN on p-silicon heterojunction solar cells | Aluminum Indium Nitride (AlInN) alloys offer great potential for photovoltaic
devices thanks to their wide direct bandgap energy that covers the solar
spectrum from 0.7 eV (InN) to 6.2 eV (AlN), and their superior resistance to
high temperatures and high-energy particles. In this paper, we report the
design of AlInN on... | 1911.08223v1 |
2019-11-20 | Mid-infrared polarized emission from black phosphorus light-emitting diodes | The mid-infrared (MIR) spectral range is of immense use for civilian and
military applications. The large number of vibrational absorption bands in this
range can be used for gas sensing, process control and spectroscopy. In
addition, there exists transparency windows in the atmosphere such as that
between 3.6-3.8 $\mu... | 1911.09184v1 |
2019-11-23 | On the Origin of Superconductivity at Nickel-Bismuth Interfaces | Unconventional superconductivity has been suggested to be present at the
interface between bismuth and nickel in thin-film bilayers. In this work, we
study the structural, magnetic and superconducting properties of sputter
deposited Bi/Ni bilayers. As-grown, our films do not display a superconducting
transition, howeve... | 1911.10427v1 |
2020-01-02 | Effective Theory of Superconductivity in Strongly-Coupled Amorphous Materials | A theory of phonon-mediated superconductivity in strong-coupling amorphous
materials is developed based on an effective description of structural disorder
and its effect on the vibrational spectrum. The theory accounts for the
diffusive-like transport of vibrational excitations due to disorder-induced
scattering within... | 2001.00404v2 |
2020-01-06 | Controlled introduction of defects to delafossite metals by electron irradiation | The delafossite metals PdCoO$_{2}$, PtCoO$_{2}$ and PdCrO$_{2}$ are among the
highest conductivity materials known, with low temperature mean free paths of
tens of microns in the best as-grown single crystals. A key question is whether
these very low resistive scattering rates result from strongly suppressed
backscatte... | 2001.01471v1 |
2020-01-10 | Sn-modification of Pt7/alumina model catalysts: Suppression of carbon deposition and enhanced thermal stability | An atomic layer deposition process is used to modify size-selected
Pt7/alumina model catalysts by Sn addition, both before and after Pt7 cluster
deposition. Surface science methods are used to probe the effects of
Sn-modification on the electronic properties, reactivity, and morphology of the
clusters. Sn addition, eit... | 2001.03580v1 |
2020-01-14 | 2D van der Waals Nanoplatelets with Robust Ferromagnetism | We have synthesized unique colloidal nanoplatelets of the ferromagnetic
two-dimensional (2D) van der Waals material CrI3 and have characterized these
nanoplatelets structurally, magnetically, and by magnetic circular dichroism
spectroscopy. The isolated CrI3 nanoplatelets have lateral dimensions of ~25 nm
and ensemble ... | 2001.04594v1 |
2020-01-15 | Niobium doping induced mirror twin boundaries in MBE grown WSe2 monolayers | Mirror twin boundary (MTB) brings unique 1D physics and properties into
two-dimensional transition metal dichalcogenides (TMDCs), but they were rarely
observed in non-Mo-based TMDCs. Herein, by post-growth Nb doping, high density
4|4E-W and 4|4P-Se MTBs were introduced into molecular beam epitaxy (MBE) grown
WSe2 monol... | 2001.05345v1 |
2020-01-30 | Scheil-Gulliver simulations for the design of functionally graded alloys by additive manufacturing using pycalphad | Additive manufacturing (AM), through directed energy deposition, supports
planned composition changes between locations within a single component,
allowing for functionally graded materials (FGMs) to be developed and
fabricated. The formation of deleterious phases along a particular composition
path can cause significa... | 2001.11611v1 |
2021-07-15 | Tunable Mie Resonances in the Visible Spectrum | Dielectric optical nanoantennas play an important role in color displays,
metasurface holograms, and wavefront shaping applications. They usually exploit
Mie resonances as supported on nanostructures with high refractive index, such
as Si and TiO2. However, these resonances normally cannot be tuned. Although
phase chan... | 2107.07081v1 |
2021-07-19 | Deformation Behaviour of Ion-Irradiated FeCr: A Nanoindentation Study | Understanding the mechanisms of plasticity in structural steels is essential
for the operation of next-generation fusion reactors. Elemental composition,
particularly the amount of Cr present, and irradiation can have separate and
synergistic effects on the mechanical properties of ferritic/martensitic
steels. The stud... | 2107.09040v1 |
2021-07-20 | Solid-state Janus nanoprecipitation enables amorphous-like heat conduction in crystalline Mg3Sb2-based thermoelectric materials | Solid-state precipitation can be used to tailor materials properties, ranging
from ferromagnets and catalysts to mechanical strengthening and energy storage.
Thermoelectric properties can be modified by precipitation to enhance phonon
scattering while retaining charge-carrier transmission. Here, we uncover
unconvention... | 2107.09397v4 |
2021-07-21 | Thermodynamic Stable Site for Interstitial alloy (N or O) in bcc-Refractory Metals using Density Functional Theory | Plasticity in body centered cubic (bcc) refractory metals are largely due to
the stress tensor induced either by solute or thermal activation. The mechanism
of the solute atom(s) residence causes instability in such metals. Earlier
research have considered the mechanism of oxygen (O) or carbon (C) in tungsten
(W), even... | 2107.10307v1 |
2021-07-16 | Macroscopic modeling of strain-rate dependent energy dissipation of superelastic SMAs considering destabilization of martensitic lattice | Superelastic shape-memory alloys (SMAs) are unique smart materials with a
considerable energy dissipation potential for dynamic loadings with varying
strain-rates. The energy dissipation depends on the latent heat generated by
the austenitic-martensitic transformation and the convection of that heat. Due
to the thermom... | 2107.12145v1 |
2021-07-26 | Electrically Enhanced Exchange Bias via Solid State Magneto-Ionics | Electrically induced ionic motion offers a new way to realize
voltage-controlled magnetism, opening the door to a new generation of logic,
sensor, and data storage technologies. Here, we demonstrate an effective
approach to magneto-ionically and electrically tune exchange bias in
Gd/Ni$_{1-x}$Co$_{x}$O thin films (x=0.... | 2107.12503v2 |
2021-07-28 | Effect of transition metal doping on magnetic hardness of CeFe$_{12}$-based compounds | In this work, compositions of CeFe11X and CeFe10X2 with all 3d, 4d, and 5d
transition metal substitutions are considered. Since many previous studies have
focused on the CeFe11Ti compound, this particular compound became the starting
point of our considerations and we gave it special attention. We first
determined the ... | 2107.13352v3 |
2021-07-29 | Exploration of Characteristic Temperature Contributions to Metallic Glass Forming Ability | Various combinations of characteristic temperatures, such as the glass
transition temperature, liquidus temperature, and crystallization temperature,
have been proposed as predictions of the glass forming ability of metal alloys.
We have used statistical approaches from machine learning to systematically
explore a wide... | 2107.14157v1 |
2017-04-10 | Electron Mobility in Polarization-doped Al$\mathrm{_{0-0.2}}$GaN with a Low Concentration Near 10$\mathrm{^{17}}$ cm$\mathrm{^{-3}}$ | In this letter, carrier transport in graded
Al$\mathrm{_x}$Ga$\mathrm{_{1-x}}$N with a polarization-induced n-type doping
as low as ~ 10$\mathrm{^{17}}$ cm$\mathrm{^{-3}}$ is reported. The graded
Al$\mathrm{_x}$Ga$\mathrm{_{1-x}}$N is grown by metal organic chemical vapor
deposition on a sapphire substrate and a unifor... | 1704.03001v1 |
2017-04-11 | A Fokker-Planck reaction model for the epitaxial growth and shape transition of quantum dots | We construct a Fokker-Planck reaction model to investigate the dynamics of
the coupled epitaxial growth and shape transition process of an array of
quantum dots. The Fokker-Planck reaction model is based on a coupled system of
Fokker-Planck equations wherein the distribution of each island type is
governed by its own F... | 1704.03457v1 |
2017-04-13 | Towards low-dimensional hole systems in Be-doped GaAs nanowires | GaAs was central to the development of quantum devices but is rarely used for
nanowire-based quantum devices with InAs, InSb and SiGe instead taking the
leading role. p-type GaAs nanowires offer a path to studying strongly-confined
0D and 1D hole systems with strong spin-orbit effects, motivating our
development of nan... | 1704.03957v1 |
2017-04-18 | Localization landscape theory of disorder in semiconductors I: Theory and modeling | We present here a model of carrier distribution and transport in
semiconductor alloys accounting for quantum localization effects in disordered
materials. This model is based on the recent development of a mathematical
theory of quantum localization which introduces for each type of carrier a
spatial function called \e... | 1704.05512v1 |
2017-04-18 | Evidence for structural transition in crystalline tantalum pentoxide films grown by RF magnetron sputtering | We investigate the effect of annealing temperature on the crystalline
structure and physical properties of tantalum-pentoxide films grown by radio
frequency magnetron sputtering. For this purpose, several tantalum films were
deposited and the Ta$_2$O$_5$ crystalline phase was induced by exposing the
samples to heat tre... | 1704.05514v1 |
2017-04-19 | Thermal Rayleigh-Marangoni convection in a three-layer liquid-metal-battery model | The combined effects of buoyancy-driven Rayleigh-B\'{e}nard convection (RC)
and surface tension-driven Marangoni convection (MC) are studied in a
triple-layer configuration which serves as a simplified model for a liquid
metal battery (LMB). The three-layer model consists of a liquid metal alloy
cathode, a molten salt ... | 1704.05825v2 |
2017-04-26 | Anomalous lattice dynamics in a sigma-Fe60V40 alloy: Mossbauer spectroscopic study | Lattice dynamics in a sigma-Fe60V40 compound, which shows a re-entrant
magnetism and orders ferromagnetic ally at ca. 170K, was investigated with the
Mossbauer spectroscopy in the temperature interval of 5-300 K. Two relevant
spectral parameters viz. the average center shift, <CS>, and the relative
recoil-free fraction... | 1704.08054v1 |
2017-05-25 | Fast Vortex Oscillations in a Ferrimagnetic Disk near the Angular Momentum Compensation Point | We theoretically study the oscillatory dynamics of a vortex core in a
ferrimagnetic disk near its angular momentum compensation point, where the spin
density vanishes but the magnetization is finite. Due to the finite
magnetostatic energy, a ferrimagnetic disk of suitable geometry can support a
vortex as a ground state... | 1705.09049v2 |
2017-05-26 | Sub-nanometre resolution of atomic motion during electronic excitation in phase-change materials | Phase-change materials based on Ge-Sb-Te alloys are widely used in industrial
applications such as nonvolatile memories, but reaction pathways for
crystalline-to-amorphous phase-change on picosecond timescales remain unknown.
Femtosecond laser excitation and an ultrashort x-ray probe is used to show the
temporal separa... | 1705.09472v1 |
2017-05-31 | Giant barocaloric effects in natural rubber: A relevant step toward solid-state cooling | Solid-state cooling based on i-caloric effects has shown to be a promising
alternative to the conventional refrigeration devices. Only very recently, the
research on barocaloric materials is receiving a deal of attention due to the
demonstration of giant barocaloric effects in shape-memory alloys. Regarding
polymers, t... | 1705.10914v4 |
2018-06-29 | High quality cobalt ferrite ultrathin films with large inversion parameter grown in epitaxy on Ag(001) | Cobalt ferrite ultrathin films with inverse spinel structure are among the
best candidates for spin-filtering at room temperature. We have fabricated
high-quality epitaxial ultrathin CoFe2O4 layers on Ag(001) following a
three-step method: an ultrathin metallic CoFe2 alloy was first grown in
coherent epitaxy on the sub... | 1807.00060v1 |
2018-07-03 | An Inside Look at the Ti-MoS2 Contact in Ultra-thin Field Effect Transistor with Atomic Resolution | Two-dimensional molybdenum disulfide (MoS2) is an excellent channel material
for ultra-thin field effect transistors. However, high contact resistance
across the metal-MoS2 interface continues to limit its widespread realization.
Here, using atomic-resolution analytical scanning transmission electron
microscopy (STEM) ... | 1807.01377v1 |
2018-07-16 | The effect of magnetism and temperature on the stability of Cr, V, Al carbide MAX phases | The stability of Cr, V, Al carbide MAX phases, materials of interest for a
variety of magnetic as well as high temperature applications, has been studied
using density-functional-theory first-principles calculations. The enthalpy of
mixing predicts these alloys to be unstable towards unmixing at 0 K. The
calculations a... | 1807.05809v1 |
2018-07-20 | Anharmonic stabilization and lattice heat transport in rocksalt $β$-GeTe | Peierls-Boltzmann transport equation, coupled with third-order anharmonic
lattice dynamics calculations, has been widely used to model lattice thermal
conductivity ($\kappa_{l}$) in bulk crystals. However, its application to
materials with structural phase transition at relatively high temperature is
fundamentally chal... | 1807.08012v2 |
2018-10-02 | Ferroelastic twin reorientation mechanisms in shape memory alloys elucidated with 3D X-ray microscopy | Three-dimensional (3D) X-ray diffraction methods were used to analyze the
evolution of the load-induced rearrangements of monoclinic twin microstructures
within bulk nickel-titanium specimens in 3D and across six orders of magnitude
in length scales: changes in lattice plane spacings and orientations at the
nanoscale, ... | 1810.01493v2 |
2018-10-03 | Influence of drying temperature on morphology of MAPbI$_3$ thin films and the performance of solar cells | Photoelectric conversion efficiency of organic-inorganic perovskite solar
cells has been rapidly raised and attracted great attention in recent years.
The quality of perovskite films is vital for the performance of devices. We
used the anti-solvent method to prepare CH$_3$NH$_3$PbI$_3$ thin films by spin
coating and dr... | 1810.01907v1 |
2018-10-05 | UHV-CVD Growth of High Quality GeSn Using SnCl4: From Growth Optimization to Prototype Devices | The persistent interest of the epitaxy of group IV alloy GeSn is mainly
driven by the demand of efficient light source that could be monolithically
integrated on Si for mid-infrared Si photonics. For chemical vapor deposition
of GeSn, the exploration of parameter window is difficult from the beginning
due to its non-eq... | 1810.02523v1 |
2018-10-05 | Effect of impurities on morphology and growth mode of (111) and (001) epitaxial-like ScN films | ScN material is an emerging semiconductor with an indirect bandgap. It has
attracted attention for its thermoelectric properties, use as seed layers, and
for alloys for piezoelectric application. ScN or other transition metal nitride
semiconductors used for their interesting electrical properties are sensitive
to conta... | 1810.02593v1 |
2018-10-25 | Electrical and Optical Properties of Heavily Ge-Doped AlGaN | We report the effect of germanium as n-type dopant on the electrical and
optical properties of AlxGa1-xN layers grown by plasma assisted molecular-beam
epitaxy. The Al content has been varied from x = 0 to 0.66, confirmed by
Rutherford backscattering spectrometry, and the Ge concentration was increased
up to [Ge] = 1E2... | 1810.11108v3 |
2019-01-07 | Unconventional magnetization textures and domain-wall pinning in Sm-Co magnets | The most powerful magnets for high temperature applications are Sm-Co-based
alloys with a microstructure that combines magnetically soft and hard regions.
The microstructure consists of a dense domain-wall-pinning network that endows
the material with remarkable magnetic hardness. A precise understanding of the
couplin... | 1901.01922v3 |
2019-01-08 | High entropy oxides: An emerging prospect for magnetic rare earth - transition metal perovskites | It has been shown that oxide ceramics containing multiple transition and/or
rare-earth elements in equimolar ratios have a strong tendency to crystallize
in simple single phase structures, stabilized by the high configurational
entropy. In analogy to the metallic alloy systems, these oxides are denoted
high entropy oxi... | 1901.02395v2 |
2019-01-12 | Rayleigh-Bénard convection with a melting boundary | We study the evolution of a melting front between the solid and liquid phases
of a pure incompressible material where fluid motions are driven by unstable
temperature gradients. In a plane layer geometry, this can be seen as classical
Rayleigh-B\'enard convection where the upper solid boundary is allowed to melt
due to... | 1901.03847v1 |
2019-01-15 | Diluted Oxide Interfaces with Tunable Ground States | The metallic interface between two oxide insulators, such as LaAlO3/SrTiO3
(LAO/STO), provides new opportunities for electronics and spintronics. However,
due to the presence of multiple orbital populations, tailoring the interfacial
properties such as the ground state and metal-insulator transitions remains
challengin... | 1901.04776v1 |
2019-01-16 | Circumstellar CO in metal-poor stellar winds: the highly irradiated globular cluster star 47 Tucanae V3 | We report the first detection of circumstellar CO in a globular cluster.
Observations with ALMA have detected the CO J=3-2 and SiO v=1 J=8-7 transitions
at 345 and 344 GHz, respectively, around V3 in 47 Tucanae (NGC 104; [Fe/H] =
-0.72 dex), a star on the asymptotic giant branch. The CO line is detected at 7
sigma at a... | 1901.05416v1 |
2019-01-24 | A Single Pair of Weyl Fermions in Half-metallic EuCd2As2 Semimetal | An ideal Weyl semimetal with a single pair of Weyl points (WPs) may be
generated by splitting a single Dirac point (DP) through the breaking of
time-reversal symmetry by magnetic order. However, most known Dirac semimetals
possess a pair of DPs along an axis that is protected by crystalline symmetry.
Here, we demonstra... | 1901.08234v2 |
2019-03-30 | Polarizable Potentials For Metals: The Density Readjusting Embedded Atom Method (DR-EAM) | In simulations of metallic interfaces, a critical aspect of metallic behavior
is missing from the some of the most widely used classical molecular dynamics
force fields. We present a modification of the embedded atom method (EAM) which
allows for electronic polarization of the metal by treating the valence density
arou... | 1904.00263v1 |
2019-04-04 | Generation of ground state structures and electronic properties of ternary Al$_x$Ti$_y$Ni$_z$ clusters (x+y+z=6) with a two-stage DFT global search approach | The structural and electronic properties of ternary AlxTiyNiz clusters, where
x, y, and z are integers and x + y + z = 6 are investigated. Both SVWN and
B3LYP exchange-correlation functionals are employed in a two-stage density
functional theory (DFT) calculations to generate these clusters. In the first
stage, a minim... | 1904.03021v2 |
2019-04-10 | Optical excitation of propagating magnetostatic waves in an epitaxial Galfenol film by an ultrafast magnetic anisotropy change | Using a time-resolved optically-pumped scanning optical microscopy technique
we demonstrate the laser-driven excitation and propagation of spin waves in a
20-nm film of a ferromagnetic metallic alloy Galfenol epitaxially grown on a
GaAs substrate. In contrast to previous all-optical studies of spin waves we
employ lase... | 1904.05171v2 |
2019-04-15 | Disorder induced multifractal superconductivity in monolayer niobium dichalcogenides | The interplay between disorder and superconductivity is a subtle and
fascinating phenomenon in quantum many body physics. The conventional
superconductors are insensitive to dilute nonmagnetic impurities, known as the
Anderson's theorem. Destruction of superconductivity and even
superconductor-insulator transitions occ... | 1904.07076v1 |
2019-04-17 | Revisiting the fragile-to-strong crossover in metallic glass-forming liquids: application to Cu$_x$Zr$_x$Al$_{100-2x}$ | The fragile-to-strong crossover seems to be a general feature of metallic
glass-forming liquids. Here, we study the behavior of shear viscosity,
diffusion coefficient and vibrational density of states for
Cu$_\text{x}$Zr$_\text{x}$Al$_{\text{100-2x}}$ alloy through molecular dynamics
simulations. The results reveal tha... | 1904.08508v2 |
2019-04-30 | An Atom-Probe Tomographic Study of the Compositional Trajectories During gamma(f.c.c.)/gamma-prime(L12) Phase-Separation in a Ni-Al-Cr-Re Superalloy | The compositional diffusional-trajectories for a phase separation of
gamma(f.c.c.)/gamma-prime(L12) phases are studied in a quaternary
Ni-10Al-8.5Cr-2Re alloy, aged at 700 deg.C for 0 to 1024 h, utilizing
atom-probe tomography (APT). As the gamma-prime(L12)-precipitates grow, the
enrichments of Ni, Cr, and Re and deple... | 1904.13035v2 |
2019-07-04 | Large scale ab-initio simulations of dislocations | We present a novel methodology to compute relaxed dislocations core
configurations, and their energies in crystalline metallic materials using
large-scale \emph{ab-intio} simulations. The approach is based on MacroDFT, a
coarse-grained density functional theory method that accurately computes the
electronic structure b... | 1907.02604v1 |
2019-07-23 | Electrical characteristics of vertical-geometry Schottky junction to magnetic insulator (Ga,Mn)N heteroepitaxially grown on sapphire | Schottky barrier height and the ideality factor $\eta$ are established for
the first time in the single phase (Ga,Mn)N using a vertical geometry device.
The material has been heteroepitaxially grown on commercially available low
threading dislocation density GaN:Si template. The observed above 10M$\Omega$
resistances a... | 1907.09757v1 |
2019-07-24 | Atomic scale modeling of the thermodynamic and kinetic properties of dilute alloys driven by forced atomic relocations | Sustained external forces acting on a material provide additional mechanisms
to evolve the state of the system, and these mechanisms do not necessarily obey
the microscopic detailed balance. Therefore, standard methods to compute the
thermodynamic and kinetic properties do not apply in such driven systems. The
competit... | 1907.10361v2 |
2019-10-02 | Lifshitz tail for continuous Anderson models driven by Lévy operators | We investigate the behavior near zero of the integrated density of states
$\ell$ for random Schr\"{o}dinger operators $\Phi(-\Delta) + V^{\omega}$ in
$L^2(\mathbb R^d)$, $d \geq 1$, where $\Phi$ is a complete Bernstein function
such that for some $\alpha \in (0,2]$, one has $ \Phi(\lambda) \asymp
\lambda^{\alpha/2}$, $... | 1910.01153v1 |
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