publicationDate stringlengths 1 2.79k | title stringlengths 1 36.5k ⌀ | abstract stringlengths 1 37.3k ⌀ | id stringlengths 9 47 |
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2012-04-18 | Fe-rich border of miscibility gap and activation energy of phase decomposition in a Fe-Cr alloy | Concentration of Cr in the Fe-rich alpha-phase, x, resulted from a phase
decomposition caused by an isothermal annealing at T = 415 and 450 C of a
non-irradiated (NR) Fe-Cr14 EFDA sample and that of a He-ions irradiated (IR)
one annealed at 415 C was determined with M\"ossbauer spectroscopy. The x-value
in the latter w... | 1204.4002v2 |
2012-05-11 | Antisite traps and metastable defects in Cu(In,Ga)Se2 thin-film solar cells studied by screened-exchange hybrid density functional theory | Electronic structure calculations within screened-exchange hybrid density
functional theory show that Cu(In,Ga) antisites in both CuInSe2 and CuGaSe2 are
localized hole traps, which can be attributed to the experimentally observed N2
level. In contrast, GaCu antisites and their defect complexes with copper
vacancies ex... | 1205.2556v1 |
2012-05-18 | Controlling exchange coupling strength in NixCu100-x thin films | Thickness (dF) and concentration (x) dependence of the Curie temperature of
NixCu100-x(dF) ferromagnetic alloy layers (x =0.55,0.65, dF =[3nm{\div}12nm])
being in contact with a vanadium layer was studied. The Curie temperature of
the ferromagnetic layers depends on the thickness when it is comparable with
the interfac... | 1205.4149v1 |
2012-05-18 | An Effective Method to Estimate Composition Amplitude of Spinodal Decomposition for Atom Probe Tomography Validated by Phase Field Simulations | Reasonable evaluation of composition amplitude in spinodal decomposition is a
challenge to microanalysis of atom probe tomography, especially at early stages
when phase separation is not prominent. This impedes quantitative analysis of
spinodal structure in atom probe tomography as well as comparison with
simulated res... | 1205.4195v1 |
2012-05-31 | High-pressure study of non-Fermi liquid and spin-glass-like behavior in CeRhSn | We present measurements of the temperature dependence of electrical
resistivity of CeRhSn up to ~ 27 kbar. At low temperatures, the electrical
resistivity varies linearly with temperature for all pressures, indicating
non-Fermi liquid behavior. Below a temperature Tf ~ 6 K, the electrical
resistivity deviates from a li... | 1205.6997v1 |
2012-06-11 | Elastic, thermodynamic, electronic and optical properties of U2Ti | An investigation of U2Ti, a potentially safe and heavy metal-based storage
material for radioactive tritium for fusion reactor, has been performed using
pseudopotential density functional theory. The analysis of the elastic
constants and other moduli calculated for the first time shows large anisotropy
on elasticity an... | 1206.2160v2 |
2012-06-10 | Constitutive behavior of as-cast A356 | The constitutive behavior of aluminum alloy A356 in the as-cast condition has
been characterized using compression tests performed over a wide range of
deformation temperatures (30-500{\deg}C) and strain rates (\approx0.1-10 /s).
This work is intended to support the development of process models for a wide
range of con... | 1206.2344v1 |
2012-06-13 | Atomic Effective Pseudopotentials for Semiconductors | We derive an analytic connection between the screened self-consistent
effective potential from density functional theory (DFT) and atomic effective
pseudopotentials (AEPs). The motivation to derive AEPs is to address structures
with thousands to hundred thousand atoms, as given in most nanostructures. The
use of AEPs a... | 1206.2813v1 |
2012-06-13 | A High Power Density, High Efficiency Hydrogen-Chlorine Regenerative Fuel Cell with a Low Precious Metal Content Catalyst | We report the performance of a hydrogen-chlorine electrochemical cell with a
chlorine electrode employing a low precious metal content alloy oxide
electrocatalyst for the chlorine electrode: (Ru_0.09Co_0.91)_3O_4. The cell
employs a commercial hydrogen fuel cell electrode and transports protons
through a Nafion membran... | 1206.2883v1 |
2012-06-15 | Tuning the metamagnetism of an antiferromagnetic metal | We describe a `disordered local moment' (DLM) first-principles electronic
structure theory which demonstrates that tricritical metamagnetism can arise in
an antiferromagnetic metal due to the dependence of local moment interactions
on the magnetisation state. Itinerant electrons can therefore play a defining
role in me... | 1206.3394v1 |
2012-06-19 | High-fidelity simulations of CdTe vapor deposition from a new bond-order potential-based molecular dynamics method | CdTe has been a special semiconductor for constructing the lowest-cost solar
cells and the CdTe-based Cd1-xZnxTe alloy has been the leading semiconductor
for radiation detection applications. The performance currently achieved for
the materials, however, is still far below the theoretical expectations. This
is because ... | 1206.4231v1 |
2012-06-21 | Electronic and optical spectra in a diluted magnetic semiconductor multilayer | The effects of random distribution of magnetic impurities with concentration
$x$ in a semiconductor alloy multilayer at a paramagnetic temperature are
investigated by means of coherent potential approximation and tight-binding
model. The change in the electronic states and the optical absorption spectrum
with $x$ is ca... | 1206.4963v1 |
2012-06-29 | Ferromagnetism and superconductivity in P-doped CeFeAsO | We report on superconductivity in CeFeAs1-xPxO and the possible coexistence
with Ce- ferromagnetism (FM) in a small homogeneity range around x = 30% with
ordering temperatures of T_SC = T_C = 4K. The antiferromagnetic (AFM) ordering
temperature of Fe at this critical concentration is suppressed to T^N_Fe ~ 40K
and does... | 1206.7088v2 |
2012-07-09 | High field magneto-transport and magnetization study of Y1-xCaxBa2Cu3O7-δ(x = 0.0-0.25) | We report DC isothermal magnetization, global critical current density (JC),
Intra-grain critical current density (JCintra) and resistive upper critical
field (Bc2) of polycrystalline Y1-xCaxBa2Cu3O7-{\delta} (YBCO); x = 0.00, 0.05,
0.10, 0.15, 0.20 and 0.25. Ca doping at Y sites in YBCO superconductor results
in flux ... | 1207.1970v2 |
2012-07-13 | Ab Initio Discovery of Novel Crystal Structure Stability in Barium and Sodium-Calcium Compounds under Pressure using DFT | Group I/II materials exhibit unexpected structural phase transitions at high
pressures, providing potential insight into the origins of elemental
superconductivity. We present here a computational study of elemental barium
and binary sodium-calcium alloys to identify both known and unknown phases of
barium under pressu... | 1207.3320v1 |
2012-07-16 | Atomic scale investigation of Cr precipitation in copper | The early stage of the chromium precipitation in copper was analyzed at the
atomic scale by Atom Probe Tomography (APT). Quantitative data about the
precipitate size, 3D shape, density, composition and volume fraction were
obtained in a Cu-1Cr-0.1Zr (wt.%) commercial alloy aged at 713K. Surprisingly,
nanoscaled precipi... | 1207.3640v1 |
2012-07-16 | Mechanical design of ceramic beam tube braze joints for NOvA kicker magnets | The NO{\nu}A Experiment will construct a detector optimized for electron
neutrino detection in the existing NuMI neutrino beam. The NuMI beam line is
capable of operating at 400 kW of primary beam power and the upgrade will allow
up to 700 kW. Ceramic beam tubes are utilized in numerous kicker magnets in
different acce... | 1207.3822v1 |
2012-07-16 | The convergence method to calculate particles fluxes in x rays spectrometry techniques. Application in nuclear compounds | A method to calculate particle fluxes applicable in most of the spectroscopy
techniques is described. Flux intensities of backscattered or absorbed
electrons and emitted photons are calculated using a method of convergence to
solve the Invariant Embedding equations that are used to describe the particle
trajectories in... | 1207.3823v1 |
2012-07-31 | Breakdown of Stokes-Einstein relation in the supercooled liquid state of phase change materials | The application of amorphous chalcogenide alloys as data-storage media relies
on their ability to undergo an extremely fast (10-100 ns) crystallisation once
heated at sufficiently high temperature. However, the peculiar features that
make these materials so attractive for memory devices still lack a
comprehensive micro... | 1207.7269v1 |
2012-08-01 | Size Distribution and Its Scaling Behavior of InAlAs/AlGaAs Quantum Dots Grown on GaAs by Molecular Beam Epitaxy | We studied the size distribution and its scaling behavior of self-assembled
InAlAs/AlGaAs quantum dots (QDs) grown on GaAs with the Stranski-Krastanov (SK)
mode by molecular beam epitaxy (MBE), at both 480{\deg}C and 510{\deg}C, as a
function of InAlAs coverage. A scaling function of the volume was found for the
first ... | 1208.0109v1 |
2012-08-01 | First-principles study of the Mn, Al and C distribution and their effect on the stacking fault energies in austenite | We present ab-initio simulation of manganese, aluminum and carbon impurities
in austenite and demonstrate their inhomogeneous distribution, which involves
the repulsion of interstitial carbon atoms, the formation of bonded Mn-C pairs
as well as a short range Al-ordering of D03-type. The mechanisms for the
formation of ... | 1208.0310v1 |
2012-08-07 | Temperature-controlled interlayer exchange coupling in strong/weak ferromagnetic multilayers: a thermo-magnetic Curie-switch | We investigate a novel type of interlayer exchange coupling based on driving
a strong/weak/strong ferromagnetic tri-layer through the Curie point of the
weakly ferromagnetic spacer, with the exchange coupling between the strongly
ferromagnetic outer layers that can be switched, on and off, or varied
continuously in mag... | 1208.1493v1 |
2012-08-13 | Specific Heat Discontinuity DeltaC vs Tc in Annealed Ba(Fe1-xCox)2As2 | The low temperature specific heat of annealed single crystal samples of
Ba(Fe1-xCox)2As2 with compositions spanning the entire superconducting phase
diagram was measured. Effort was made to discover the best annealing schedule
to maximize Tc and minimize transition width in these samples. Values of
deltaC/Tc normalized... | 1208.2492v1 |
2012-08-28 | Modulation doping to control the high-density electron gas at a polar/non-polar oxide interface | A modulation-doping approach to control the carrier density of the
high-density electron gas at a prototype polar/non-polar oxide interface is
presented. It is shown that the carrier density of the electron gas at a
GdTiO3/SrTiO3 interface can be reduced by up to 20% from its maximum value (~
3x10^14 cm^-2) by alloying... | 1208.5711v1 |
2012-10-02 | A first principles study of magnetism in Pd$_{3}$Fe under pressure | Recent experiments on Pd$_{3}$Fe intermetallics [Phys. Rev. Lett. 102, 237202
(2009)] have revealed that the system behaves like a classical invar alloy
under high pressure. The experimental pressure-volume relation suggests an
anomalous volume collapse and a substantial increase in bulk modulus around the
pressure whe... | 1210.0661v1 |
2012-10-03 | A new 3D macroscopic model for shape memory alloys describing martensite reorientation | In this paper we introduce a 3D phenomenological model for shape memory
behavior, accounting for: martensite reorientation, asymmetric response of the
material to tension/compression, different kinetics between forward and reverse
phase transformation. We combine two modeling approaches using scalar and
tensorial inter... | 1210.1256v1 |
2012-10-04 | Stucture and Quality of Mono- and Bi-Component Films, Formed From Ion-Plasma Streams, Transformated During the Interaction with the Condactive Target | The essence of the method of transformation of ion-plasma streams was
disclosed. A phenomenological model of binary alloy films formation was
suggested, in the case of a conducting target being sputtered by ions of
nongaseous substances. By example of Nb films formation and Nb-Sn system, the
effect of kinetic and therm... | 1210.1384v1 |
2012-10-04 | Phase field crystal modeling of early stage precipitation and clustering | A phase field crystal model is used to investigate the mechanisms of
formation and growth of early clusters in quenched/aged dilute binary alloys, a
phenomenon typically outside the scope of molecular dynamics time scales. We
show that formation of early sub-critical clusters is triggered by the stress
relaxation effec... | 1210.1501v1 |
2012-10-08 | Sputter gas pressure effects on the properties of Sm-Co thin films deposited from a single target | We grow epitaxial Sm-Co thin films by sputter deposition from an alloy target
with a nominal SmCo5 composition on Cr(100)-buffered MgO(100) single-crystal
substrates. By varying the Ar gas pressure, we can change the composition of
the film from a SmCo5-like to a Sm2Co7-like phase. The composition, crystal
structure, m... | 1210.2240v1 |
2012-10-22 | Phase Diagram of Ferroelastic Systems in the Presence of Disorder: Analytical Model and Experimental Verification | There is little consensus on the nature of the glass state and its
relationship to other strain states in ferroelastic materials which show the
shape memory effect and superelasticity. We provide a thermodynamic
interpretation of the known strain states, including precursory tweed and
strain glass, by mapping the probl... | 1210.5919v1 |
2012-10-29 | Large magnetoelectric effect in mechanically mediated structure of TbFe2, Pb(Zr,Ti)O3 and nonmagnetic flakes | Magnetoelectric (ME) effect has been studied in a structure of a
magnetostrictive TbFe2 alloy, two piezoelectric Pb(Zr,Ti)O3 (PZT) ceramics, and
two nonmagnetic flakes. The ME coupling originates from the
magnetic-mechanical-electric transform of the magnetostrictive effect in TbFe2
and the piezoelectric effect in PZT ... | 1210.7542v1 |
2012-10-31 | Scattering-Independent Anomalous Nernst Effect in Ferromagnets | Using the full-potential linearized augmented plane-wave method within the
density functional theory, we compute all contributions to the scattering
independent part of the thermoelectric conductivity tensor, namely the
intrinsic contribution and the side-jump contribution. For the ferromagnetic
materials bcc Fe, hcp C... | 1210.8283v2 |
2012-11-01 | Tune of Magnetism and Electronic Structures of Alkali Metal Carbides with Rocksalt Structure | Electronic structures of carbides with the rocksalt structure were calculated
by full potential electronic codes solving the Kohn-Sham equation. Bonding
characters were analyzed by constructing tight-binding Hamiltonian based on
maximally-localized Wannier functions. It was found that the cations in these
compounds act... | 1211.0162v2 |
2012-11-01 | A theoretical investigation of structural, electronic and optical properties of bulk copper nitrides | We present a detailed first-principles DFT study of the equation of state
(EOS), energy-optimized geometries, phase stabilities and electronic properties
of bulk crystalline Cu3N, CuN and CuN2 in a set of twenty different structural
phases. We analyzed different structural preferences for these three
stoichiometries an... | 1211.0179v1 |
2012-11-01 | Neutron diffraction evidence for kinetic arrest of the first-order austenite to martensite transition in Ni37Co11Mn42.5Sn9.5 | Neutron diffraction measurements, performed in presence of an external
magnetic field, have been used to show structural evidence for the kinetic
arrest of the first-order phase transition from the high temperature austenite
phase to the low temperature martensite phase in the magnetic shape memory
alloy Ni37Co11Mn42.5... | 1211.0238v1 |
2012-11-04 | Impact of correlations and finite temperatures on the anomalous Hall conductivity of 3d-transition-metals | Employing the linear response Kubo formalism as implemented in a fully
relativistic multiple-scattering Korringa-Kohn-Rostoker Green function method a
systematic first-principles study based on density-functional theory (DFT) of
the anomalous Hall conductivity (AHC) of the 3$d$-transition-metals Fe, Co and
Ni is presen... | 1211.0702v1 |
2012-11-11 | Magnetic phase transitions in Gd64Sc36 studied using non-contact ultrasonics | The speed and attenuation of ultrasound propagation can be used to determine
material properties and identify phase transitions. Standard ultrasonic contact
techniques are not always convenient due to the necessity of using couplant,
however, recently reliable non-contact ultrasonic techniques involving
electromagnetic... | 1211.2471v1 |
2012-11-12 | Step Free Energies at Faceted Solid-Liquid Interfaces from Equilibrium Molecular Dynamics Simulations | In this work a method is proposed for computing step free energies for
faceted solid-liquid interfaces based on atomistic simulations. The method is
demonstrated in an application to (111) interfaces in elemental Si, modeled
with the classical Stillinger-Weber potential. The approach makes use of an
adiabatic trapping ... | 1211.2732v1 |
2012-11-26 | Momentum Dependent Local-Ansatz Wavefunction from Weak to Strong Electron Correlations | Momentum dependent local-ansatz (MLA) wavefunction describes accurately
electron correlations from the weak to intermediate Coulomb interaction
regimes. We point out that the MLA can describe the correlations from the weak
to strong Coulomb interaction regimes by modifying the starting wavefunction
from the Hartree-Foc... | 1211.5881v1 |
2012-11-29 | Phase separation of antiferromagnetic ground states in systems with imperfect nesting | We analyze the phase diagram for a system of weakly-coupled electrons having
an electron- and a hole-band with imperfect nesting. Namely, both bands have
spherical Fermi surfaces, but their radii are slightly different, with a
mismatch proportional to the doping. Such a model is used to describe: the
antiferromagnetism... | 1211.6850v2 |
2012-11-30 | Effect of thermal history on the short-range order in Fe-Cr alloys | Effect of a thermal history of Fe(100-x)Cr(x) (x < 20) samples on a Cr atoms
distribution within the first (1NN) and the second (2NN) neighbor-shells was
studied with the M\"ossbauer spectroscopy. The distribution was expressed in
terms of the Cowley-Warren short-range order (SRO) parameters: <alpha1> for
1NN, <alpha2>... | 1211.7300v1 |
2012-12-04 | Spinodal Decomposition of Magnetic Ions in Eu-Codoped Ge/1-x/Cr/x/Te | We present the experimental evidence for the presence of spinodal
decomposition of the magnetic ions in the Ge/1-x-y/Cr/x/Eu/y/Te samples with
chemical composition varying in the range of 0.015 < x < 0.057 and 0.003 < y <
0.042. The ferromagnetic transition at temperatures 50 < T < 57 K was observed,
independent of the... | 1212.0666v1 |
2012-12-05 | Tuning the porosity of bimetallic nanostructures by a soft templating approach | We use hexagonal mesophases made of oil-swollen surfactant-stabilized tubes
arranged on a triangular lattice in water and doped with metallic salts as
templates for the radiolytic synthesis of nanostructures. The nanostructures
formed in this type of soft matrix are bimetallic palladium-platinum porous
nanoballs compos... | 1212.1064v1 |
2012-12-12 | The Microstructure of Tool Steel after Low Temperature Ion Nitriding | The microstructural development in H13 tool steel upon nitriding by an ion
beam process was investigated. The nitriding experiments were performed at a
relatively low temperature of about 400\deg C and at constant ion beam energy
(400 eV) of different doses in a high-vacuum preparation chamber; the ion
source was fed w... | 1212.2997v1 |
2012-12-14 | Polymer Assisted Synthesis of FeNi Nanoparticles | Polymer assisted spherical FeNi nanoparticles were prepared via wet chemical
method using hydrazine as a reducing agent and polymers (PVP and PEG) as
reducing and stabilizing agent. Structural studies performed using XRD and TEM
shows uniform dispersion of fine FeNi nanocrystallites in nanocomposite
particles. The size... | 1212.3566v1 |
2012-12-17 | The first-principles study of thermodynamical properties of random magnetic overlayers on fcc-Cu(001) substrate | We present the theoretical study of thermodynamical properties of fcc-Cu(001)
substrate covered by iron-cobalt monolayer as well as by incomplete iron layer.
The effective two-dimensional Heisenberg Hamiltonian is constructed from first
principles and properties of exchange interactions are investigated. The Curie
temp... | 1212.4057v1 |
2012-12-18 | Inelastic neutron scattering study of phonon density of states in nanostructured Si1xGex thermoelectrics | Inelastic neutron scattering measurements are utilized to explore relative
changes in the generalized phonon density of states of nanocrystalline Si1xGex
thermoelectric materials prepared via ball milling and hot-pressing techniques.
Dynamic signatures of Ge clustering can be inferred from the data by
referencing the r... | 1212.4431v1 |
2012-12-19 | Theory of the spin Hall effect, and its inverse, in a ferromagnetic metal near the Curie temperature | We give a theory of the inverse spin Hall effect (ISHE) in ferromagnetic
metals based on skew scattering via collective spin fluctuations. This extends
Kondo's theory of the anomalous Hall effect (AHE) to include short-range
spin-spin correlations. We find a relation between the ISHE and the four-spin
correlations near... | 1212.4561v1 |
2013-01-07 | Positron Source Simulations for ILC 1 TeV Upgrade | The generation and capture of polarized positrons at a source with a
superconducting helical undulator having 4.3 cm period and 500 GeV electron
drive beam have been simulated. The positron polarization has been calculated
for the different undulator K values (up to K = 2.5). Without applying a photon
collimator, the m... | 1301.1222v2 |
2013-01-09 | Monoatomic magnetic interfaces in IrMn/Cr/Co thin films probed by grazing incidence X-ray absorption spectroscopy | We present depth-resolved experimental results on the atomic and electronic
structures of the Co-Cr interface on four IrMn/Cr/Co thin films with variable
thickness of the Cr layer. Grazing incidence X-ray absorption near edge
structure near the Cr K-edge was used, and an Angstrom resolved depth-profile
for this layer w... | 1301.1832v1 |
2013-01-11 | Role of Electronic Structure in the Morphotropic Phase Boundary of TbxDy1-xCo2 Studied by First-principles Calculation | Physically parallel to ferroelectric morphotropic phase boundary, a phase
boundary separating two ferromagnetic phase of different crystallographic
symmetries was found in TbxDy1-xCo2. High-resolution synchrotron XRD has been
carried out to offer experimental evidence for TbxDy1-xCo2. It has been proved
that TbxDy1-xCo... | 1301.2389v2 |
2013-01-14 | Single-Crystal Growth and Thermoelectric Properties of Ge(Bi,Sb)4Te7 | The thermoelectric properties between 10 and 300 K and the growth of single
crystals of n-type and p-type GeBi4Te7, GeSb4Te7, and the Ge(Bi1-xSbx)4Te7
solid solution are reported. Single crystals were grown by the modified
Bridgman method, and p-type behavior was achieved by the substitution of Bi by
Sb in GeBi4Te7. Th... | 1301.3030v1 |
2013-01-22 | Studies of FemIrn nano clusters using Density Functional Theory Techniques | The structure, binding energy, magnetic moments and electronic structure of
FemIrn clusters are investigated using state of the art density functional
theory techniques. Fully unconstrained structural relaxations are undertaken by
considering all possible non equivalent cluster structures. The optimized
clusters are al... | 1301.5150v1 |
2013-02-12 | Micro-alloying and the Toughness of Glasses: Modeling with Pinned Particles | The usefulness of glasses, and particularly of metallic glasses, in
technological applications is often limited by their toughness, which is
defined as the area under the stress vs. strain curve before plastic yielding.
Recently toughness was found to increase significantly by the addition of small
concentrations of fo... | 1302.2858v1 |
2013-02-14 | Formation of one-dimensional self-assembled silicon nanoribbons on Au(110)-(2x1) | We report results on the self-assembly of silicon nanoribbons on the (2x1)
reconstructed Au(110) surface under ultra-high vacuum conditions. Upon
adsorption of 0.2 monolayer (ML) of silicon the (2x1) reconstruction of Au(110)
is replaced by an ordered surface alloy. Above this coverage a new
superstructure is revealed ... | 1302.3391v1 |
2013-02-18 | Observation of large positive magnetoresistance and its sign reversal in GdRhGe | Magnetic properties, heat capacity and magnetoresistance (MR) of
polycrystalline GdRhGe are investigated. It shows two antiferromagnetic
transitions, one at T1=31.8 K and the other at T2=24 K, and field induced
metamagnetic transition over a wide temperature range. The ac susceptibility
data reveal that the transition ... | 1302.4226v2 |
2013-02-19 | Structure and Dielectric Properties of Amorphous High-kappa Oxides: HfO2, ZrO2 and their alloys | High-$\kappa$ metal oxides are a class of materials playing an increasingly
important role in modern device physics and technology. Here we report
theoretical investigations of the properties of structural and lattice
dielectric constants of bulk amorphous metal oxides by a combined approach of
classical molecular dyna... | 1302.4534v1 |
2013-02-22 | Broken Dynamic Symmetry and Phase Transition Precursor | Symmetry breaking is a central concept of Landau phase transition theory,
which, however, only considers time-averaged static symmetry of crystal lattice
while neglects dynamic symmetry of lattice vibrations thus fails to explain the
ubiquitous transformation precursor phenomena. We show that incomplete phonon
softenin... | 1302.5479v1 |
2013-02-22 | Design principles for HgTe based topological insulator devices | The topological insulator properties of CdTe/HgTe/CdTe quantum wells are
theoretically studied. The CdTe/HgTe/CdTe quantum well behaves as a topological
insulator beyond a critical well width dimension. It is shown that if the
barrier(CdTe) and well-region(HgTe) are altered by replacing them with the
alloy Cd$_{x}% $Hg... | 1302.5716v1 |
2013-03-02 | The effect of shock-wave profile on dynamic brittle failure | The influence of shock-wave-loading profile on the failure processes in a
brittle material has been investigated. Tungsten heavy alloy (WHA) specimens
have been subjected to two shock-wave loading profiles with a similar peak
stress of 15.4 GPa but different pulse durations. Contrary to the strong
dependence of strengt... | 1303.0393v1 |
2013-03-08 | Influence of symmetry on Sm magnetism studied on SmIr2Si2 polymorphs | Polycrystalline samples of SmIr2Si2 formed at room temperature both the low
temperature phase (LTP) and the metastable high temperature phase (HTP),
respectively, depending on the heat treatment. The samples were studied by
X-ray powder diffraction, DTA, specific-heat and magnetization measurements
with respect to temp... | 1303.1908v1 |
2013-03-09 | Adiabatic transformation as a search tool for new topological insulators: distorted ternary Li$_2$AgSb-class semiconductors and related compounds | We demonstrate that first-principles based adiabatic continuation approach is
a very powerful and efficient tool for constructing topological phase diagrams
and locating non-trivial topological insulator materials. Using this technique,
we predict that the ternary intermetallic series Li$_2M'X$ where $M'$=Cu, Ag,
Au, o... | 1303.2228v1 |
2013-03-15 | Tunable optoelectronic and ferroelectric properties in Sc-based III-nitrides | Sc-based III-nitride alloys were studied using Density Functional Theory with
special quasi-random structures and were found to retain wide band gaps which
stay direct up to x = 0.125 (ScxAl1-xN) and x = 0.375 (ScxGa1-xN). Epitaxial
strain stabilization prevents spinodal decomposition up to x = 0.3 (ScxAl1-xN
on GaN) a... | 1303.3745v1 |
2013-03-15 | Thermoelectric Properties of Polycrystalline NiSi3P4 | The Hall and Seebeck coefficients, electrical resistivity and thermal
conductivity of polycrystalline NiSi3P4 were characterized from 2 to 775K.
Undoped NiSi3P4 behaves like a narrow gap semiconductor, with activated
electrical resistivity \rho below room temperature and a large Seebeck
coefficient of ~400uV/K at 300K.... | 1303.3772v1 |
2013-03-23 | Yb Valence Change in (Ce,Yb)CoIn5 from spectroscopy and bulk properties | The electronic structure of (Ce,Yb)CoIn5 has been studied by a combination of
photoemission, x-ray absorption and bulk property measurements. Previous
findings of a Ce valence near 3+ for all x and of an Yb valence near 2.3+ for
x>0.3 were confirmed. One new result of this study is that the Yb valence for
x<0.2 increas... | 1303.5871v2 |
2013-03-29 | Giant magnetocaloric effect in isostructural MnNiGe-CoNiGe system by establishing a Curie-temperature window | An effective scheme of isostructural alloying was applied to establish a
Curie-temperature window in isostructural MnNiGe-CoNiGe system. With the
simultaneous accomplishment of decreasing structural-transition temperature and
converting antiferromagnetic martensite to ferromagnetic state, a 200 K
Curie-temperature wind... | 1303.7282v1 |
2013-04-01 | Surface States of Topological Crystalline Insulators in IV-VI Semiconductors | Topological crystalline insulators (TCI) are new topological phases of matter
protected by crystal symmetry of solids. Recently, the first realization of TCI
has been predicted and observed in IV-VI semiconductor SnTe and related alloys
Pb_{1-x}Sn_{x}(Te, Se). By combining k.p theory and band structure calculation,
we ... | 1304.0430v1 |
2013-04-04 | The effect of Al doping on the structure and magnetism in cobaltite CaBaCo4O7 | We report the effects of Al-doping on the structure and magnetic properties
in CaBa(Co$_{1-x}$Al$_{x}$)$_4$O$_7$ (0$\leq$x$\leq$0.25). The system exhibits
a structural transition from an orthorhombic symmetry to a hexagonal symmetry
when the Al content exceeds $x =$ 0.1. The Curie temperature and the value of
the magne... | 1304.1387v1 |
2013-04-05 | Band offset of GaAs/AlxGa1-xAs heterojunctions from atomistic first principles | Using an atomistic first principles approach, we investigate the band offset
of the GaAs/AlxGa1-xAs heterojunctions for the entire range of the Al doping
concentration 0<x<=1. We apply the coherent potential approach to handle the
configuration average of Al doping and a recently proposed semi-local exchange
potential ... | 1304.1686v1 |
2013-04-06 | Effect of activation procedure on Sm-Co-Fe-Zr-B compound for low temperature efficient hydrogen storage | The present research work is focused on the effect of activation procedure on
the hydrogen absorption-desorption properties of new rare earth transition
metal compound based on Sm(Co0.6Fe0.2Zr0.16B0.04)7.5 composition. Crystal
structure and composition is always connected to the maximum capacity of the
intermetallic hy... | 1304.1901v1 |
2013-04-08 | Effects of alloying and strain on the magnetic properties of Fe$_{16}$N$_2$ | The electronic structure and magnetic properties of pure and doped
{Fe$_{16}$N$_2$} systems have been studied in the local-density (LDA) and
quasiparticle self-consistent {\emph{GW}} approximations. The {\emph{GW}}
magnetic moment of pure {Fe$_{16}$N$_2$} is somewhat larger compared to LDA but
not anomalously large. Th... | 1304.2428v2 |
2013-04-10 | Advanced holographic nondestructive testing system for residual stress analysis | The design and operating of a portable holographic interferometer for
residual stress analysis by creating a small scratch along with a new
mathematical algorithm of calculations are discussed. Preliminary data of the
stress investigations on aluminum and steel alloys have been obtained by the
automatic processing of t... | 1304.3141v1 |
2013-04-19 | Effects of composition and chemical disorder on the magnetocrystalline anisotropy of Fe_{x}Pt_{1-x} alloys | We perform first principles calculations of the magnetocrystalline anisotropy
energy (MAE) of the L1_{0}-like Fe_{x}Pt_{1-x} samples studied experimentally
by Barmak and co-workers in [J. Appl. Phys. 98 (2005) 033904]. The variation of
composition and long-range chemical order in the samples was studied in terms
of the... | 1304.5323v1 |
2013-04-30 | Pressure-induced Topological Phase Transitions in Rock-salt Chalcogenides | By means of a comprehensive theoretical investigation, we show that external
pressure can induce topological phase transitions in IV-VI semiconducting
chalcogenides with rock-salt structure. These materials satisfy mirror
symmetries that are needed to sustain topologically protected surface states,
at variance with tim... | 1304.7931v1 |
2013-04-30 | Non-trivial spin-texture of the coaxial Dirac cones on the surface of topological crystalline insulator SnTe | We present first principles calculations of the nontrivial surface states and
their spin-textures in the topological crystalline insulator SnTe. The surface
state dispersion on the [001] surface exhibits four Dirac-cones centered along
the intersection of the mirror plane and the surface plane. We propose a simple
mode... | 1304.8119v1 |
2013-05-05 | Computational studies of the glass-forming ability of model bulk metallic glasses | Bulk metallic glasses (BMGs) are produced by rapidly thermally quenching
supercooled liquid metal alloys below the glass transition temperature at rates
much faster than the critical cooling rate R_c below which crystallization
occurs. The glass-forming ability of BMGs increases with decreasing R_c, and
thus good glass... | 1305.0971v1 |
2013-05-15 | Elastic scattering of surface states on three-dimensional topological insulators | Topological insulators as new type of quantum matter materials are
characterized by a full insulating gap in the bulk and gapless edge/surface
states which are protected by time-reversal symmetry. We propose the
interference patterns caused by elastic scattering of defects or impurities are
dominated by surface states ... | 1305.3369v1 |
2013-05-15 | Integration and characterization of solid wall electrodes in microfluidic devices fabricated in a single photolithography step | We describe the fabrication and characterization of solid 3-dimensional
electrodes in direct contact with microfluidic channels, implemented using a
single photolithography step, allowing operation in high-dielectric constant
media. Incorporation and self-alignment of electrodes is achieved by combining
microsolidic ap... | 1305.3554v1 |
2013-05-27 | A Rigidity Result for a Reduced Model of a Cubic-to-Orthorhombic Phase Transition in the Geometrically Linear Theory of Elasticity | We study a simplified two-dimensional model for a cubic-to-orthorhombic phase
transition occuring in certain shape-memory-alloys. In the low temperature
regime the linear theory of elasticity predicts various possible patterns of
martensite arrangements: Apart from the well known laminates this phase
transition display... | 1305.6200v1 |
2013-05-31 | Quasiparticle Interference on the Surface of Topological Crystalline Insulator Pb(1-x)Sn(x)Se | Topological crystalline insulators represent a novel topological phase of
matter in which the surface states are protected by discrete point
group-symmetries of the underlying lattice. Rock-salt lead-tin-selenide alloy
is one possible realization of this phase which undergoes a topological phase
transition upon changin... | 1306.0043v2 |
2013-06-04 | AC vs. DC Electrophoretic Deposition of Hydroxyapatite on Titanium | The bio-inertness of titanium and its alloys attracts their use as bone
implants. However a bioactive coating is usually necessary for improving the
bone bonding of such implants. In this study, electrophoretic deposition(EPD)
of hydroxyapatite (HA) powder on titanium plate was performed using butanol as
solvent under ... | 1306.0743v1 |
2013-06-10 | Transient and self-limited nanostructures on patterned surfaces | Site-controlled quantum dots formed during the deposition of (Al)GaAs layers
by metalorganic vapor-phase epitaxy on GaAs(111)B substrates patterned with
inverted pyramids result in geometric and compositional self-ordering along the
vertical axis of the template. We describe a theoretical scheme that reproduces
the exp... | 1306.2161v1 |
2013-06-18 | Magnetic-Moment Fragmentation and Monopole Crystallization | The Coulomb phase, with its dipolar correlations and pinch-point-scattering
patterns, is central to discussions of geometrically frustrated systems, from
water ice to binary and mixed-valence alloys, as well as numerous examples of
frustrated magnets. The emergent Coulomb phase of lattice-based systems has
been associa... | 1306.4120v2 |
2013-06-18 | Momentum Dependent Local-Ansatz with Hybrid Wavefunction from Weak to Strong Electron Correlations | The variational theory of momentum dependent local-ansatz (MLA) has been
generalized by introducing a hybrid (HB) wavefunction as a starting
wavefunction, whose potential can flexibly change from the Hartree-Fock type to
the alloy-analogy type by varying a weighting factor from zero to one.
Numerical results based on t... | 1306.4123v1 |
2013-06-21 | Germanium crystals on silicon show their light | Germanium and silicon-germanium alloys have found entry into Si technology
thanks to their compatibility with Si processing and their ability to tailor
electronic properties by strain and band-gap engineering. Germanium's potential
to extend Si functionalities, as exemplified by lasing action of strained-Ge on
Si subst... | 1306.5270v1 |
2013-06-25 | Thermomechanical design of a static gas target for electron accelerators | Gas targets are often used at accelerator facilities. A design of
high-pressure gas cells that are suitable for hydrogen and helium isotopes at
relatively high electron beam currents is presented. In particular, we consider
rare gas targets, $^3$H$_2$ and $^3$He. In the design, heat transfer and
mechanical integrity of... | 1306.6000v1 |
2013-06-27 | Amorphous GdFeCo Films Exhibiting Large and Tunable Perpendicular Magnetic Anisotropy | We report the compositional and temperature dependence of magnetic
compensation in amorphous GdFeCo films. Magnetic compensation is attributed to
the competition between antiferromagnetic coupling of rare-earth with
transition-metal (TM) ions and ferromagnetic interaction between the TM ions.
The low-Gd region from 20 ... | 1306.6451v1 |
2013-06-27 | Finding the Rashba-type spin-splitting from interband scattering in quasiparticle interference maps | We have studied the BiCu$_2$/Cu(111) surface alloy using low-temperature
scanning tunneling microscopy and spectroscopy. We observed standing waves
caused by scattering off defects and step edges. Different from previous
studies on similar Rashba-type surfaces, we identified multiple scattering
vectors that originate f... | 1306.6662v1 |
2013-07-04 | First-principles study of Co concentration and interfacial resonance states in Fe$_{1-x}$Co$_x$ magnetic tunnel junctions | The optimal Co concentration in Fe$_{1-x}$Co$_{x}$/MgO magnetic tunnel
junctions (MTJs) that maximizes tunneling magnetoresistance (TMR) is still
under investigation. We perform a first-principles transport study on MTJs
using disordered electrodes modeled using the virtual crystal approximation
(VCA) and ordered alloy... | 1307.1374v1 |
2013-07-09 | Complex order-parameter phase-field models derived from structural phase-field-crystal models | The phase-field-crystal (PFC) modeling paradigm is rapidly emerging as the
model of choice when investigating materials phenomena with atomistic scale
effects over diffusive time scales. Recent variants of the PFC model, so-called
structural PFC (XPFC) models introduced by Greenwood et al., have further
increased the c... | 1307.2620v1 |
2013-07-20 | Magnetic properties of Sn/1-x/Cr/x/Te diluted magnetic semiconductors | We present the studies of Sn/1-x/Cr/x/Te semimagnetic semiconductors with
chemical composition x ranging from 0.004 to 0.012. The structural
characterization indicates that even at low average Cr-content x < ?0.012, the
aggregation into micrometer size clusters appears in our samples. The magnetic
properties are affect... | 1307.5464v1 |
2013-07-21 | Influence of excitation frequency on Raman modes of In1-xGaxN thin films | Low energy optical modes of MBE-grown In1-xGaxN thin films with different
values of x are investigated using Raman spectroscopy. We also studied the
influence of Raman excitation frequency using red and green lasers on
scattering intensity of various Raman modes. For those In1-xGaxN alloys whose
bandgap energy is close... | 1307.5545v1 |
2013-07-23 | Impact of cation-based localized electronic states on the conduction and valence band structure of AlInN alloys | We demonstrate that cation-related localized states strongly perturb the band
structure of $\text{Al}_{1-x}\text{In}_x$N leading to a strong band gap bowing
at low In content. Our first-principles calculations show that In-related
localized states are formed both in the conduction and the valence band in
$\text{Al}_{1-... | 1307.5985v2 |
2013-07-25 | Memory Effect and Triplet Pairing Generation in the Superconducting Exchange Biased Co/CoOx/Cu41Ni59/Nb/Cu41Ni59 Layered Heterostructure | We fabricated a nanolayered hybrid superconductor-ferromagnet spin-valve
structure, the resistive state of which depends on the preceding magnetic field
polarity. The effect is based on a strong exchange bias (about -2 kOe) on a
diluted ferromagnetic copper-nickel alloy and generation of a long range odd in
frequency t... | 1307.6742v1 |
2013-07-29 | Hydrogen accommodation in Zr second phase particles: Implications for H pick-up and hydriding of Zircaloy-2 and Zircaloy-4 | Ab-initio computer simulations have been used to predict the energies
associated with the accommodation of H atoms at interstitial sites in {\alpha},
{\beta}-Zr and Zr.M intermetallics formed with common alloying additions (M =
Cr, Fe, Ni). Intermetallics that relate to the Zr2(Ni,Fe) second phase
particles (SPPs) foun... | 1307.7616v1 |
2013-08-05 | Controlling the Polarity of the Transient Ferromagnetic-Like State in Ferrimagnets | After the application of an ultrashort laser pulse, the antiferromagnetic
alignment in rare earth-transition metal alloys can temporarily become
ferromagnetic with the rare-earth polarity.
Proposed models merely describe this effect, without showing the route for
its manipulation. Here we use extensive atomistic spin... | 1308.0993v2 |
2013-08-06 | Strain engineering of topological properties in lead-salt semiconductors | Rock-salt chalcogenide SnTe represents the simplest realization of a
topological insulator where a crystal symmetry allows for the appearence of
topologically protected metallic states with an even number of Dirac cones on
high-symmetry crystal surfaces. Related rock-salt lead chalcogenides have been
predicted as well ... | 1308.1288v1 |
2013-08-06 | Novel types of anti-ecloud surfaces | In high power RF devices for space, secondary electron emission appears as
the main parameter governing the multipactor effect and as well as the e-cloud
in large accelerators. Critical experimental activities included development of
coatings with low secondary electron emission yield (SEY) for steel (large
accelerator... | 1308.1316v1 |
2013-08-12 | Formation of Nickel-Platinum Silicides on a Silicon Substrate: Structure, Phase Stability, and Diffusion from Ab initio Computations | The formation of Ni(Pt)silicides on a Si(001) surface is investigated using
an ab initio approach. After deposition of a Ni overlayer alloyed with Pt, the
calculations reveal fast diffusion of Ni atoms into the Si lattice, which leads
initially to the formation of Ni2Si. At the same time Si atoms are found to
diffuse i... | 1308.2605v1 |
2013-08-13 | Strain effects on the electronic structure of the FeSe0.5Te0.5 superconductor | The electronic structure of the strained FeSe0.5Te0.5 superconductor has been
investigated from first principles. Our calculation results indicate that the
influence of hydrostatic, biaxial or uniaxial compressive stress on the density
of states at the Fermi level is insignificant. The overall shape of the
Fermi-surfac... | 1308.2949v1 |
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