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Reaction rate approach to dipolar relaxation in alkali halides:
Adiabaticity versus classical, activated-tunneling, and quantal dipoles: This paper is aimed at presenting a simple vibronic model for describing the
dipolar reorientation in crystals by means of reaction rate theory. The
Hamiltonian of an isolated dipol... | cond-mat_mtrl-sci |
Prediction of three-fold fermions in a nearly-ideal Dirac semimetal
BaAgAs: Materials with triply-degenerate nodal points in their low-energy electronic
spectrum produce crystalline-symmetry-enforced three-fold fermions, which
conceptually lie between the two-fold Weyl and four-fold Dirac fermions. Here
we show how a... | cond-mat_mtrl-sci |
Low-field microwave-free sensors using dipolar spin relaxation of
quartet spin states in silicon carbide: Paramagnetic defects and nuclear spins are the major sources of magnetic
field-dependent spin relaxation in point defect quantum bits. The detection of
related optical signals has led to the development of advanc... | cond-mat_mtrl-sci |
Field-free spin-orbit torque switching through domain wall motion: Deterministic current-induced spin-orbit torque (SOT) switching of
magnetization in a heavy transition metal/ferromagnetic metal/oxide magnetic
heterostructure with the ferromagnetic layer being perpendicularly-magnetized
typically requires an externall... | cond-mat_mtrl-sci |
Tuning valleys and wave functions of van der Waals heterostructures by
varying the number of layers: A first-principles study: In van der Waals heterostructures of two-dimensional transition-metal
dichalcogenides (2D TMDCs) electron and hole states are spatially localized in
different layers forming long-lived interl... | cond-mat_mtrl-sci |
Computational analysis of short-range interactions between an edge
dislocation and an array of equally-spaced identical shearable or
non-shearable precipitates: The interaction between dislocations and precipitates plays an important role
in the mechanical behavior of alloys. To provide more insight into the physic... | cond-mat_mtrl-sci |
Cooperatively Modulating Magnetic Anisotropy and Colossal
Magnetoresistance via Atomic-Scale Buffer Layers in Highly Strained
La0.7Sr0.3MnO3 Films: Simultaneous control of magnetic anisotropy and magnetoresistance, especially
with atomic scale precision, remains a pivotal challenge for realizing advanced
spintronic... | cond-mat_mtrl-sci |
Impact of Cr doping on the structure, optical and magnetic properties of
nanocrystalline ZnO particles: The role of Cr incorporation into the ZnO were probed through investigations
into the structural, optical and magnetic properties. Zn1-xCrxO with x = 0,
0.01, 0.03 and 0.05, nanoparticles were prepared by solution ... | cond-mat_mtrl-sci |
Room temperature ferromagnetic-like behavior in Mn-implanted and
post-annealed InAs layers deposited by Molecular Beam Epitaxy: We report on the magnetic and structural properties of Ar and Mn implanted
InAs epitaxial films grown on GaAs (100) by Molecular Beam Epitaxy (MBE) and
the effect of Rapid Thermal Annealing ... | cond-mat_mtrl-sci |
Deposition and photoluminescence of zinc gallium oxide thin films with
varied stoichiometry made by reactive magnetron co-sputtering: This paper reports on the deposition and photoluminescence of amorphous and
crystalline thin films of zinc gallium oxide with Ga:Zn atomic ratio varied
between 0.3 and 5.7. The films a... | cond-mat_mtrl-sci |
Inelastic electron tunneling spectroscopy of local "spin accumulation"
devices: We investigate the origin of purported "spin accumulation" signals observed
in local "three-terminal" (3T) measurements of ferromagnet/insulator/n-Si
tunnel junctions using inelastic electron tunneling spectroscopy (IETS).
Voltage bias an... | cond-mat_mtrl-sci |
Magnetic and structural properties of Co2FeAl thin films grown on Si
substrate: The correlation between magnetic and structural properties of Co_{2} FeAl
(CFA) thin films of different thickness (10 nm<d< 100 nm) grown at room
temperature on MgO-buffered Si/SiO2 substrates and annealed at
600\lyxmathsym{\textdegree}C ... | cond-mat_mtrl-sci |
Experimentally informed structure optimization of amorphous TiO2 films
grown by atomic layer deposition: Amorphous titanium dioxide TiO2 (a-TiO2) has been widely studied,
particularly as a protective coating layer on semiconductors to prevent
corrosion and promote electron-hole conduction in photoelectrochemical
reac... | cond-mat_mtrl-sci |
Simulating dark-field x-ray microscopy images with wave front
propagation techniques: Dark-Field X-ray Microscopy (DFXM) is a diffraction-based synchrotron imaging
techique capable of imaging defects in the bulk of extended crystalline
samples. We present numerical simulations of image-formation in such a
microscope ... | cond-mat_mtrl-sci |
Identification and tunable optical coherent control of transition-metal
spins in silicon carbide: Color centers in wide-bandgap semiconductors are attractive systems for
quantum technologies since they can combine long-coherent electronic spin and
bright optical properties. Several suitable centers have been identifi... | cond-mat_mtrl-sci |
Resonant Raman of OH/OD vibrations and photoluminescence studies in
LiTaO3 thin film: Resonant Raman spectra (RRS) of O-H and O-D vibration and libration modes,
their combinations and higher harmonics have been observed in LiTaO3
polycrystalline thin films. RRS peaks are superimposed on photoluminescence
(PL) spectru... | cond-mat_mtrl-sci |
Parabolic Metamaterials and Dirac Bridges: A new class of multi-scale structures, referred to as `parabolic
metamaterials' is introduced and studied in this paper. For an elastic
two-dimensional triangular lattice, we identify dynamic regimes, which
corresponds to so-called `Dirac Bridges' on the dispersion surfaces. S... | cond-mat_mtrl-sci |
Sub 20 nm Silicon Patterning and Metal Lift-Off Using Thermal Scanning
Probe Lithography: The most direct definition of a patterning process' resolution is the
smallest half-pitch feature it is capable of transferring onto the substrate.
Here we demonstrate that thermal Scanning Probe Lithography (t-SPL) is capable
o... | cond-mat_mtrl-sci |
Large magnetoresistance in intermetallic compounds R2Mn3Si5 (R = Tb, Dy
and Ho): Magnetization (M) and magnetoresistance (MR) measurements on polycrystalline
R2Mn3Si5 (R = Tb, Dy and Ho) compounds (tetragonal, space group P4/mnc) have
been carried out in the temperature range of 2 K-300 K, in various applied
fields. ... | cond-mat_mtrl-sci |
Grapheayne: a class of low-energy carbon allotropes with diverse
optoelectronic and topological properties: A series of carbon allotropes with novel optoelectronic and rich topological
properties is predicted by systematic first-principles calculations. These
fascinating carbon allotropes can be derived by inserting ... | cond-mat_mtrl-sci |
Growth of $α-Ga_2O_3$ on $Al_2O_3$ by conventional molecular-beam
epitaxy and metal-oxide-catalyzed epitaxy: We report the growth of $\alpha-Ga_2O_3$ on $m$-plane $Al_2O_3$ by
conventional plasma-assisted molecular-beam epitaxy (MBE) and In-mediated
metal-oxide-catalyzed epitaxy (MOCATAXY). We report a growth-rate-di... | cond-mat_mtrl-sci |
Towards colloidal spintronics through Rashba spin-orbit interaction in
lead sulphide nanosheets: Employing the spin degree of freedom of charge carriers offers the
possibility to extend the functionality of conventional electronic devices,
while colloidal chemistry can be used to synthesize inexpensive and tuneable
n... | cond-mat_mtrl-sci |
Metal-Ferroelectric-Metal heterostructures with Schottky contacts I.
Influence of the ferroelectric properties: A model for Metal-Ferroelectric-Metal structures with Schottky contacts is
proposed. The model adapts the general theories of metal-semiconductor
rectifying contacts for the particular case of metal-ferroel... | cond-mat_mtrl-sci |
Two-dimensional ferromagnetic semiconductors of rare-earth Janus
2H-GdIBr monolayer with large valley polarization: Based on a rare-earth Gd atom with 4$f$ electrons, through first-principles
calculations, we demonstrate that the Janus 2H-GdIBr monolayer exhibits an
intrinsic ferromagnetic (FM) semiconductor characte... | cond-mat_mtrl-sci |
Landau modeling of dynamical nucleation of martensite at grain
boundaries under local stress: The dynamical nucleation of martensite in polycrystals is simulated by means
of Lagrange-Rayleigh dynamics with Landau energetics, which is capable of
obtaining the local stress as a result of the interplay of the potential ... | cond-mat_mtrl-sci |
Substrate-induced structures of bismuth adsorption on graphene: a first
principle study: The geometric and electronic properties of Bi-adsorbed monolayer graphene,
enriched by the strong effect of substrate, are investigated by
first-principles calculations. The six-layered substrate, corrugated buffer
layer, and sli... | cond-mat_mtrl-sci |
Topological skyrmions in monolayer multiferroic MoPtGe2S6: Two-dimensional (2D) multiferroic materials with coexisting ferroelectricity
and ferromagnetism have garnered substantial attention for their intriguing
physical properties and diverse promising applications in spintronics. For
example, multiferroic materials w... | cond-mat_mtrl-sci |
Magnetocaloric effect and its implementation in critical behavior study
of Mn4FeGe3-xSix intermetallic compounds: Magnetocaloric effect in Mn4FeGe3-xSix compounds has been studied by dc
magnetization measurements. For the parent compound Mn4FeGe3, the paramagnetic
to ferromagnetic transition temperature TC is above r... | cond-mat_mtrl-sci |
Weakly Trapped, Charged, and Free Excitons in Single-Layer MoS2 in the
Presence of Defects, Strain, and Charged Impurities: Few- and single-layer MoS2 host substantial densities of defects. They are
thought to influence the doping level, the crystal structure, and the binding
of electron-hole pairs. We disentangle th... | cond-mat_mtrl-sci |
In-plane anisotropic optical and mechanical properties of
two-dimensional MoO$_3$: Molybdenum trioxide (MoO$_3$) in-plane anisotropy has increasingly attracted
the attention of the scientific community in the last few years. Many of the
observed in-plane anisotropic properties stem from the anisotropic refractive
ind... | cond-mat_mtrl-sci |
Experimental evidence of above-threshold photoemission in solids: Nonlinear photoemission from a silver single crystal is investigated by
femtosecond laser pulses in a perturbative regime. A clear observation of
above-threshold photoemission in solids is reported for the first time. The
ratio between the three-photon a... | cond-mat_mtrl-sci |
$sp^{2}$/$sp^{3}$ carbon ratio in graphite oxide with different
preparation times: Graphite oxide is an amorphous insulator. Although several models have been
suggested, its structure remains controversial. To elucidate this issue, 5
samples were prepared by the Brodie process and the Staudenmaier process. The
electr... | cond-mat_mtrl-sci |
Spline-based neural network interatomic potentials: blending classical
and machine learning models: While machine learning (ML) interatomic potentials (IPs) are able to achieve
accuracies nearing the level of noise inherent in the first-principles data to
which they are trained, it remains to be shown if their increa... | cond-mat_mtrl-sci |
Intermediate range order in (Fe,Al) silicate network glasses: a neutron
diffraction and EPSR modeling investigation: The local structural environment and the spatial distribution of iron and
aluminum ions in sodosilicate glasses with composition NaFexAl1-xSi2O6 (x = 1,
0.8, 0.5 and 0) is studied by high-resolution ne... | cond-mat_mtrl-sci |
Current induced spin injection and surface torque in ferromagnetic
metallic junctions: Joint influence of two effects, namely, nonequilibrium spin injection by
current, and current induced surface torque, on spin-valve type ferromagnetic
metallic junctions is considered theoretically. The CPP configuration is
assumed... | cond-mat_mtrl-sci |
Structural, magnetic and transport properties of Co$_2$CrAl epitaxial
thin films: We report the physical properties of Co$_2$CrAl Heusler alloy epitaxial thin
films grown on single crystalline MgO(001) substrate using pulsed laser
deposition technique. The x-ray diffraction pattern in $\theta$-2$\theta$ mode
showed t... | cond-mat_mtrl-sci |
Defect-induced states, defect-induced phase transition and excitonic
states in bent transition metal dichalcogenide (TMD) nanoribbons: density
functional vs. many body theory: Two-dimensional (2D) transition metal dichalcogenide (TMD) materials have
versatile electronic and optical properties. TMD nanoribbons show ... | cond-mat_mtrl-sci |
Model for domain wall avalanches in ferromagnetic thin films: The Barkhausen jumps or avalanches in magnetic domain-walls motion between
succesive pinned configurations, due the competition among magnetic external
driving force and substrum quenched disorder, appear in bulk materials and thin
films. We introduce a mode... | cond-mat_mtrl-sci |
Gate dependent Raman spectroscopy of graphene on hexagonal boron nitride: Raman spectroscopy, a fast and nondestructive imaging method, can be used to
monitor the doping level in graphene devices. We fabricated chemical vapor
deposition (CVD) grown graphene on atomically flat hexagonal boron nitride
(hBN) flakes and Si... | cond-mat_mtrl-sci |
The Removal of Single Layers from Multi-Layer Graphene by Low Energy
Electron Stimulation: The removal of single atomic layers from multi-layer graphene using a He
plasma is reported. By applying sample biases of -60 and +60 V during He plasma
exposure, layer removal is found to be due to electrons instead of He ions... | cond-mat_mtrl-sci |
Mn-rich MnSb2Te4: A topological insulator with magnetic gap closing at
high Curie temperatures of 45-50 K: Ferromagnetic topological insulators exhibit the quantum anomalous Hall
effect that might be used for high precision metrology and edge channel
spintronics. In conjunction with superconductors, they could host c... | cond-mat_mtrl-sci |
Reconstructing random heterogeneous media through differentiable
optimization: Microstructure reconstruction is a key enabler of process-structure-property
linkages, a central topic in materials engineering. Revisiting classical
optimization-based reconstruction techniques,they are recognized as a powerful
framework ... | cond-mat_mtrl-sci |
Gapless surface Dirac cone in antiferromagnetic topological insulator
MnBi$_2$Te$_4$: The recent discovered antiferromagnetic topological insulators in Mn-Bi-Te
family with intrinsic magnetic ordering have rapidly drawn broad interest since
its cleaved surface state is believed to be gapped, hosting the unprecedented... | cond-mat_mtrl-sci |
Rational design principles for giant spin Hall effect in 5d-transition
metal oxides: Spin Hall effect (SHE), a mechanism by which materials convert a
\textit{charge} current into a \textit{spin} current, invokes interesting
physics and promises to empower transformative, energy-efficient memory
technology. However, f... | cond-mat_mtrl-sci |
Structural and electronic phase evolution of Tin dioxide: We investigate the effect of controlled annealing on the structural and
electronic phase evolution of Tin dioxide from Tin (II) oxyhydroxide prepared
by simple precipitation method. Thermogravimetric analysis suggests a complex
weight loss-gain process involved,... | cond-mat_mtrl-sci |
Improving empirical interatomic potentials for predicting thermophysical
properties by using an irreducible derivatives approach: The case of thorium
dioxide: The accuracy of physical property predictions using classical molecular
dynamics simulations is determined by the quality of the empirical interatomic
potent... | cond-mat_mtrl-sci |
Phonons in Twisted Transition Metal Dichalcogenide Bilayers
("Twistnonics"): Ultra-soft Phasons, and a transition from Superlubric to
Pinned Phase: The tunability of the interlayer coupling by twisting one layer with respect
to another layer of two-dimensional materials provides a unique way to
manipulate the phono... | cond-mat_mtrl-sci |
Magnetic and Electrical Properties of Ordered 112-type Perovskite
LnBaCoMnO5+δ(Ln = Nd, Eu): Investigation of the oxygen-deficient 112-type ordered oxides of the type
LnBaCoMnO5+\delta (Ln = Nd, Eu) evidences certain unusual magnetic behavior at
low temperatures, compared to the LnBaCo2O5+\delta cobaltites. One obser... | cond-mat_mtrl-sci |
Swift heavy ion irradiation of GaSb: from ion tracks to nano-porous
networks: Ion track formation, amorphisation, and the formation of porosity in
crystalline GaSb induced by 185 MeV $^{197}$Au swift heavy ion irradiation is
investigated as a function of fluence and irradiation angle relative to the
surface normal. R... | cond-mat_mtrl-sci |
Extrinsic n-type semiconductor transition in ZrSe2 with the metallic
character through hafnium substitution: Two dimensional layered materials exhibit versatile electronic properties in
their different phases. The intrinsic electronic properties of these materials
can be modulated through doping or intercalation. In ... | cond-mat_mtrl-sci |
DFT Modelling of Explicit Solid-Solid Interfaces in Batteries: Methods
and Challenges: Density Functional Theory (DFT) calculations of electrode material properties
in high energy density storage devices like lithium batteries have been
standard practice for decades. In contrast, DFT modelling of explicit
interfaces ... | cond-mat_mtrl-sci |
Proper usage of Scherrer's and Guinier's formulas in X-ray analysis of
size distribution in systems of monocrystalline CeO2 nanoparticles: Small-angle X-ray scattering (SAXS) and X-ray diffraction (XRD) techniques
are widely used as analytical tools in the optimization and control of
nanomaterial synthesis processes.... | cond-mat_mtrl-sci |
Statistical equilibrium measures in micromagnetics: We derive an equilibrium statistical theory for the macroscopic description
of a ferromagnetic material at positive finite temperatures. Our formulation
describes the most-probable equilibrium macrostates that yield a coherent
deterministic large-scale picture varying... | cond-mat_mtrl-sci |
Size-dependence of non-empirically tuned DFT starting points for
$G_0W_0$ applied to $π$-conjugated molecular chains: $G_0W_0$ calculations for predicting vertical ionization potentials (IPs) and
electron affinities of molecules and clusters are known to show a significant
dependence on the density functional theory ... | cond-mat_mtrl-sci |
Ab Initio Linear and Pump-Probe Spectroscopy of Excitons in Molecular
Crystals: Linear and non-linear spectroscopies are powerful tools used to investigate
the energetics and dynamics of electronic excited states of both molecules and
crystals. While highly accurate \emph{ab initio} calculations of molecular
spectra ... | cond-mat_mtrl-sci |
Room Temperature Electrocaloric Effect in Layered Ferroelectric CuInP2S6
for Solid State Refrigeration: A material with reversible temperature change capability under an external
electric field, known as the electrocaloric effect (ECE), has long been
considered as a promising solid-state cooling solution. However, el... | cond-mat_mtrl-sci |
Metastable precursors during the oxidation of the Ru(0001) surface: Using density-functional theory, we predict that the oxidation of the
Ru(0001) surface proceeds via the accumulation of sub-surface oxygen in
two-dimensional islands between the first and second substrate layer. This
leads locally to a decoupling of an... | cond-mat_mtrl-sci |
Ultrafast dynamic conductivity and scattering rate saturation of
photoexcited charge carriers in silicon investigated with a midinfrared
continuum probe: We employ ultra-broadband terahertz-midinfrared probe pulses to characterize
the optical response of photoinduced charge-carrier plasmas in high-resistivity
silic... | cond-mat_mtrl-sci |
Rashba-like spin splitting along three momentum directions in trigonal
layered PtBi2: Spin-orbit coupling (SOC) has gained much attention for its rich physical
phenomena and highly promising applications in spintronic devices. The
Rashba-type SOC in systems with inversion symmetry breaking is particularly
attractive ... | cond-mat_mtrl-sci |
Chemical and nuclear catalysis driven by localized anharmonic vibrations: In many-body nonlinear systems with sufficient anharmonicity, a special kind
of lattice vibrations, namely, Localized Anharmonic Vibrations (LAV) can be
excited either thermally or by external triggering, in which the amplitude of
atomic oscillat... | cond-mat_mtrl-sci |
Metallic atomic wires on a patterned dihydrogeneted Si(001): Electronic structure calculations for atomic wire of metals like Al, Ga and
In are performed for a patterned dihydrogeneted Si(001):1 $\times$ 1 in search
of structures with metallic behavior. The dihydrogeneted Si(001) is patterned
by depassivating hygrozen ... | cond-mat_mtrl-sci |
Enhanced thermoelectricity at the ultra-thin film limit: At the ultra-thin film limit, quantum confinement strongly improves
thermoelectric figure of merit in materials such as Sb$_2$Te$_3$ and
Bi$_2$Te$_3$. These high quality films have only been realized using well
controlled techniques such as molecular beam epitaxy... | cond-mat_mtrl-sci |
Noncontact friction: Role of phonon damping and its nonuniversality: While obtaining theoretical predictions for dissipation during sliding motion
is a difficult task, one regime that allows for analytical results is the
so-called noncontact regime, where a probe is weakly interacting with the
surface over which it mov... | cond-mat_mtrl-sci |
Enhanced Static Approximation to the Electron Self-Energy Operator for
Efficient Calculation of Quasiparticle Energies: An enhanced static approximation for the electron self energy operator is
proposed for efficient calculation of quasiparticle energies. Analysis of the
static COHSEX approximation originally propose... | cond-mat_mtrl-sci |
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 deform... | cond-mat_mtrl-sci |
Strain and order-parameter coupling in Ni-Mn-Ga Heusler alloys from
resonant ultrasound spectroscopy: Resonant ultrasound spectroscopy and magnetic susceptibility experiments have
been used to characterize strain coupling phenomena associated with structural
and magnetic properties of the shape-memory Heusler alloy s... | cond-mat_mtrl-sci |
Status and direction of atom probe analysis of frozen liquids: Imaging of liquids and cryogenic biological materials by electron microscopy
has been recently enabled by innovative approaches for specimen preparation and
the fast development of optimised instruments for cryo-enabled electron
microscopy (cryo-EM). Yet, C... | cond-mat_mtrl-sci |
$\textit{Ab Initio}$ Theory of the Impact from Grain Boundaries and
Substitutional Defects on Superconducting Nb$_3$Sn: Grain boundaries play a critical role in applications of superconducting
Nb$_3$Sn: in dc applications, grain boundaries preserve the material's
inherently high critical current density by pinning fl... | cond-mat_mtrl-sci |
Simulations of Magnetization Reversal in FM/AFM Bilayers With THz
Frequency Pulses: It is widely known that antiferromagnets (AFMs) display a high frequency
response in the terahertz (THz) range, which opens up the possibility for
ultrafast control of their magnetization for next generation data storage and
processin... | cond-mat_mtrl-sci |
Mott- versus Slater-type Insulating Nature of Two-Dimensional Sn Atom
Lattice on SiC(0001): Semiconductor surfaces with narrow surface bands provide unique playgrounds
to search for Mott-insulating state. Recently, a combined experimental and
theoretical study [Phys. Rev. Lett. 114, 247602 (2015)] of the two-dimensio... | cond-mat_mtrl-sci |
Atmospheric doping effects in epitaxial graphene: correlation of local
and global electrical measurements: We directly correlate the local (20-nm scale) and global electronic
properties of a device containing mono-, bi- and tri-layer epitaxial graphene
(EG) domains on 6H-SiC(0001) by simultaneously performing local s... | cond-mat_mtrl-sci |
Polarization-driven band topology evolution in twisted MoTe$_2$ and
WSe$_2$: Motivated by recent experimental observations of opposite Chern numbers in
$R$-type twisted MoTe$_2$ and WSe$_2$ homobilayers, we perform large-scale
density-functional-theory (DFT) calculations with machine learning force fields
to investig... | cond-mat_mtrl-sci |
Understanding and Optimizing the Sensitization of Anatase Titanium
Dioxide Surface with Hematite Clusters: The presence of small hematite (Fe2O3) clusters at low coverage on titanium
dioxide (TiO2) surface has been observed to enhance photocatalytic activity,
while excess loading of hematite is detrimental. We conduc... | cond-mat_mtrl-sci |
Selective observation of surface and bulk bands in polar WTe2 by
laser-based spin- and angle-resolved photoemission spectroscopy: The electronic state of WTe2, a candidate of type-II Weyl semimetal, is
investigated by using laser-based spin- and angle-resolved photoemission
spectroscopy (SARPES). We prepare the pair ... | cond-mat_mtrl-sci |
Observation of Fermi arc spin texture in TaAs: We have investigated the spin texture of surface Fermi arcs in the recently
discovered Weyl semimetal TaAs using spin- and angle-resolved photoemission
spectroscopy. The experimental results demonstrate that the Fermi arcs are
spin-polarized. The measured spin texture fulf... | cond-mat_mtrl-sci |
Towards printed magnetic sensors based on organic diodes: We report the study of magnetotransport properties of regio-regular poly
(3-hexyl thiophene) based organic diodes. The devices were fabricated using two
different techniques of spin coating and inkjet printing. Positive
magnetoresistance (MR) effect was observed... | cond-mat_mtrl-sci |
Synthesis and structure of tetragonal Bi12.5Nd1.5ReO24.5: The Bi12.5Nd1.5ReO24.5 tetragonal phase has been synthesized and lattice cell
parameters have been determined. According to X-ray data the phase has I4/m
sym-metry with lattice parameters a = 0.86742 (12) nm, c =1.7408 (3) nm. | cond-mat_mtrl-sci |
Absence of long-range order in an $XY$ pyrochlore antiferromagnet
Er$_2$AlSbO$_7$: Rare-earth pyrochlores are known to exhibit exotic magnetic phenomena. We
report a study of crystal growth and characterizations of a new rare-earth
compound Er$_2$AlSbO$_7$, in which Al$^{3+}$ and Sb$^{5+}$ ions share the same
positio... | cond-mat_mtrl-sci |
Mechanisms of magnetoelectricity in manganese doped incipient
ferroelectrics: We report magnetization measurements and magnetic resonance data for SrTiO3
doped by manganese. We show that the recently reported coexistent spin and
dipole glass (multiglass) behaviours are strongly affected by the distribution
of Mn ions... | cond-mat_mtrl-sci |
Emergent impervious band crossing in the bulk in topological nodal line
semimetal ZrAs$_2$: Topological nodal line semimetals (TSMs) represent a unique class of
materials with intriguing electronic structures and rich of symmetries, hosting
electronic states with non-trivial topological properties. Among these,
ZrAs$... | cond-mat_mtrl-sci |
Sliding on a Nanotube: Interplay of Friction, Deformations and Structure: The frictional properties of individual carbon nanotubes (CNTs) are studied
by sliding an atomic force microscopy tip across and along its principle axis.
This direction-dependent frictional behavior is found to correlate strongly
with the presen... | cond-mat_mtrl-sci |
Effect of Sm-, Gd- codoping on structural modifications in
aluminoborosilicate glasses under beta-irradiation: Two series of Sm-, Gd-codoped aluminoborosilicate glasses with different
total rare earth content have been studied in order to examine the codoping
effect on the structural modifications of beta-irradiated ... | cond-mat_mtrl-sci |
Interface characterization of Co2MnGe/Rh2CuSn Heusler multilayers: All-Heusler multilayer structures have been investigated by means of high
kinetic x-ray photoelectron spectroscopy and x-ray magnetic circular dichroism,
aiming to address the amount of disorder and interface diffusion induced by
annealing of the multil... | cond-mat_mtrl-sci |
Fast Lithium Ion Diffusion in Brownmillerite
$\mathrm{Li}_{x}\mathrm{{Sr}_{2}{Co}_{2}{O}_{5}}$: Ionic conductors have great potential for interesting tunable physical
properties via ionic liquid gating and novel energy storage applications such
as all-solid-state lithium batteries. In particular, low migration barrie... | cond-mat_mtrl-sci |
Confinement-induced metal-to-insulator transition in strained
LaNiO$_3$/LaAlO$_3$ superlattices: Using density functional theory calculations including a Hubbard $U$ term we
explore the effect of strain and confinement on the electronic ground state of
superlattices containing the band insulator LaAlO$_3$ and the cor... | cond-mat_mtrl-sci |
Exact value of the correlation factor for the divacancy mechanism in FCC
crystals: the end of a long quest: The correlation factor for diffusion by the divacancy mechanism in an FCC
lattice has been the target of a long quest. Amounting to 0.54 at the
beginning, its value was progressively decreased down to 0.4582 wi... | cond-mat_mtrl-sci |
Anomalous Dirac Plasmons in 1D Topological Electrides: Plasmon opens up the possibility to efficiently couple light and matter at
sub-wavelength scales. In general, the plasmon frequency is dependent of
carrier density. This dependency, however, renders fundamentally a weak plasmon
intensity at low frequency, especiall... | cond-mat_mtrl-sci |
Analysis of Lithiation and Delithiation Kinetics in Silicon: Analysis of lithiation and delithiation kinetics in pulse-laser-deposited
crystalline thin-film silicon (Si) electrodes is presented. Data from
open-circuit relaxation experiments are used in conjunction with a model based
on Tafel kinetics and double-layer c... | cond-mat_mtrl-sci |
Covalent Nitrogen Doping and Compressive Strain in MoS2 by Remote N2
Plasma Exposure: Controllable doping of two-dimensional materials is highly desired for ideal
device performance in both hetero- and p-n homo-junctions. Herein, we propose
an effective strategy for doping of MoS2 with nitrogen through a remote N2
pl... | cond-mat_mtrl-sci |
Direct observation of ordered configurations of hydrogen adatoms on
graphene: Ordered configurations of hydrogen adatoms on graphene have long been
proposed, calculated and searched for. Here we report direct observation of
several ordered configurations of H adatoms on graphene by scanning tunneling
microscopy. On t... | cond-mat_mtrl-sci |
Spatially dispersive circular photogalvanic effect in a Weyl semimetal: Weyl semimetals are gapless topological states of matter with broken
inversion and/or time reversal symmetry, which can support unconventional
responses to externally applied electrical, optical and magnetic fields. Here
we report a new photogalvan... | cond-mat_mtrl-sci |
Infrared dielectric function, phonon modes and free-charge carrier
properties of high-Al-content Al$_x$Ga$_{1-x}$N alloys determined by
mid-infrared spectroscopic ellipsometry and optical Hall effect: The phonon mode parameters and anisotropic mid-infrared dielectric function
tensor components of high- Al-content A... | cond-mat_mtrl-sci |
Strain localization and shear banding in ductile materials: A model of a shear band as a zero-thickness nonlinear interface is proposed
and tested using finite element simulations. An imperfection approach is used
in this model where a shear band, that is assumed to lie in a ductile matrix
material (obeying von Mises p... | cond-mat_mtrl-sci |
Ferromagnetic frozen structures from the dipolar hard spheres fluid at
moderate and small volume fractions: We study the magnetic phase diagram of an ensemble of dipolar hard spheres
(DHS) with or without uniaxial anisotropy and frozen in position on a
disordered structure by tempered Monte Carlo simulations. The cru... | cond-mat_mtrl-sci |
Perfect separation of intraband and interband excitations in PdCoO$_2$: The temperature dependence of the optical properties of the delafossite
PdCoO$_2$ has been measured in the a-b planes over a wide frequency range. The
optical conductivity due to the free-carrier (intraband) response falls well
below the interband ... | cond-mat_mtrl-sci |
Polaronic hole-trapping in doped $\rm BaBiO_3$: The present {\em ab initio} study shows that in BaBiO$_3$, Bi$^{3+}$ sites
can trap two holes from the valence band to form Bi$^{5+}$ cations. The
trapping is accompanied by large local lattice distortions, therefore the
composite particle consisting of the electronic-hol... | cond-mat_mtrl-sci |
In-plane orientation effects on the electronic structure, stability and
Raman scattering of monolayer graphene on Ir(111): We employ angle-resolved photoemission spectroscopy (ARPES) to investigate
the electronic structures of two rotational variants of epitaxial, single-layer
graphene on Ir(111). As grown, the more-... | cond-mat_mtrl-sci |
Cooperative response of Pb(ZrTi)O$_3$ nanoparticles to curled electric
fields: Using first-principles based effective Hamiltonian and finite temperature
Monte Carlo simulations we investigate cooperative responses, as well as
microscopic mechanism for vortex switching, in zero-dimensional
Pb(Zr$_{0.5}$Ti$_{0.5}$)O$_3... | cond-mat_mtrl-sci |
Andreev reflection in ferrimagnetic CoFe2O4/SrRuO3 spin filters: We have performed point contact spectroscopy measurements on a sample
constituted by a metallic ferromagnetic oxide (SrRuO_3) bottom electrode and a
tunnel ferrimagnetic (CoFe_2O_4) barrier. Andreev reflection is observed across
the tunnel barrier. From t... | cond-mat_mtrl-sci |
Disassembling one-dimensional chains in molybdenum oxides: The dimensionality of quantum materials strongly affects their physical
properties. Although many emergent phenomena, such as charge-density wave and
Luttinger liquid behavior, are well understood in one-dimensional (1D) systems,
the generalization to explore t... | cond-mat_mtrl-sci |
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