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Pentacene islands grown on ultra-thin SiO2: Ultra-thin oxide (UTO) films were grown on Si(111) in ultrahigh vacuum at
room temperature and characterized by scanning tunneling microscopy. The
ultra-thin oxide films were then used as substrates for room temperature growth
of pentacene. The apparent height of the first la... | cond-mat_mtrl-sci |
The Structure of Eu-III: Previous x-ray diffraction studies have reported Eu to transform from the hcp
structure to a new phase, Eu-III, at 18 GPa. Using x-ray powder diffraction we
have determined that Eu remains hcp up to 33 GPa, and that the extra peaks that
appear at 18 GPa are from an impurity phase with space gro... | cond-mat_mtrl-sci |
Nitrogen-vacancy centers created by N$^+$ ion implantation through
screening SiO$_2$ layers on diamond: We report on an ion implantation technique utilizing a screening mask made of
SiO$_2$ to control both the depth profile and the dose. By appropriately
selecting the thickness of the screening layer, this method ful... | cond-mat_mtrl-sci |
Tunable magnon-magnon coupling in synthetic antiferromagnets: In this work, we study magnon-magnon coupling in synthetic antiferromagnets
(SyAFs) using microwave spectroscopy at room temperature. Two distinct
spin-wave modes are clearly observed and are hybridised at degeneracy points.
We provide a phenomenological mod... | cond-mat_mtrl-sci |
Transverse circular photogalvanic effect associated with
Lorentz-violating Weyl fermions: Nonlinear optical responses of quantum materials have recently undergone
dramatic developments to unveil nontrivial geometry and topology. A remarkable
example is the quantized longitudinal circular photogalvanic effect (CPGE)
a... | cond-mat_mtrl-sci |
Directional carrier transport in micrometer-thick gallium oxide films
for high-performance deep-ultraviolet photodetection: Incorporating emerging ultrawide bandgap semiconductors with a
metal-semiconductor-metal (MSM) architecture is highly desired for
deep-ultraviolet (DUV) photodetection. However, synthesis-induce... | cond-mat_mtrl-sci |
Tunable polarization components and electric field induced
crystallization in polyvinylidenefluoride (PVDF); a piezo polymer: Polyvinylidenefluoride (PVDF) a semicrystalline pieozoelectric polymer was
synthesized with varying process conditions and its ferroelectric domain
orientations were studied using piezorespons... | cond-mat_mtrl-sci |
Understanding and tuning magnetism in layered Ising-type antiferromagnet
FePSe3 for potential 2D magnet: Recent development in two-dimensional (2D) magnetic materials have motivated
the search for new van der Waals magnetic materials, especially Ising-type
magnets with strong magnetic anisotropy. Fe-based MPX3 (M = t... | cond-mat_mtrl-sci |
Diffraction at GaAs/Fe$_{3}$Si core/shell nanowires: the formation of
nanofacets: GaAs/Fe$_{3}$Si core/shell nanowire structures were fabricated by
molecular-beam epitaxy on oxidized Si(111) substrates and investigated by
synchrotron x-ray diffraction. The surfaces of the Fe$_3$Si shells exhibit
nanofacets. These fac... | cond-mat_mtrl-sci |
Plasmonic electromagnetically-induced transparency in symmetric
structures: A broken symmetry is generally believed to be a prerequisite of plasmonic
electromagnetically-induced transparency (EIT), since the asymmetry renders the
excitation of the otherwise forbidden dark mode possible. Nevertheless,
according to the... | cond-mat_mtrl-sci |
Reversible phase transformation and doubly-charged anions at the surface
of simple cubic RbC60: The simple cubic phase of a RbC60 thin film has been studied using
photoelectron spectroscopy. The simple cubic-to-dimer transition is found to be
reversible at the film surface. A sharp Fermi edge is observed and a lower
... | cond-mat_mtrl-sci |
Quantum anomalous Hall effect in two-dimensional magnetic insulator
heterojunctions: Recent years have witnessed tremendous success in the discovery of
topological states of matter. Particularly, sophisticated theoretical methods
in time-reversal-invariant topological phases have been developed, leading to
the compre... | cond-mat_mtrl-sci |
Dual-band metacomposites containing hybrid Fe and Co-based ferromagnetic
microwires: We investigated the microwave properties of polymer based metacomposites
containing hybridized parallel Fe- and Co-based microwire arrays. A dual-band
left-handed feature was observed in the frequency bands of 1.5 to 5.5 GHz and 9
to... | cond-mat_mtrl-sci |
Molecular Tuning of the Magnetic Response in Organic Semiconductors: The tunability of high-mobility organic semi-conductors (OSCs) holds great
promise for molecular spintronics. In this study, we show this extreme
variability - and therefore potential tunability - of the molecular
gyromagnetic coupling ("g-") tensor w... | cond-mat_mtrl-sci |
Intrinsic anomalous Hall effect in Ni-substituted magnetic Weyl
semimetal Co3Sn2S2: Topological materials have recently attracted considerable attention among
materials scientists as their properties are predicted to be protected against
perturbations such as lattice distortion and chemical substitution. However,
any... | cond-mat_mtrl-sci |
On the impact of capillarity for strength at the nanoscale: The interior of nanoscale crystals experiences stress that compensates the
capillary forces and that can be large, in the order of 1 GPa. Various studies
have speculated on whether and how this surface-induced stress affects the
stability and plasticity of sma... | cond-mat_mtrl-sci |
Spin-phonon coupling in BaFe12O19 M-type hexaferrite: The spin-phonon coupling in magnetic materials is due to the modulation of
the exchange integral by lattice vibrations. BaFe12O19 M-type hexaferrite,
which is the most used magnetic material as permanent magnet, transforms into
ferromagnet at high temperatures, but ... | cond-mat_mtrl-sci |
Multiferroic RMnO3 thin films: Multiferroic materials have received an astonishing attention in the last
decades due to expectations that potential coupling between distinct ferroic
orders could inspire new applications and new device concepts. As a result, a
new knowledge on coupling mechanisms and materials science h... | cond-mat_mtrl-sci |
Cooling rate dependence of the antiferromagnetic domain structure of a
single crystalline charge ordered manganite: The low temperature phase of single crystals of Nd$_{0.5}$Ca$_{0.5}$MnO$_3$
and Gd$_{0.5}$Ca$_{0.5}$MnO$_3$ manganites is investigated by squid
magnetometry. Nd$_{0.5}$Ca$_{0.5}$MnO$_3$ undergoes a char... | cond-mat_mtrl-sci |
Electrodynamics of magnetoelectric media and magnetoelectric fields: The relationship between magnetoelectricity and electromagnetism is a subject
of a strong interest and numerous discussions in microwave and optical wave
physics and material sciences. The definition of the energy and momentum of the
electromagnetic (... | cond-mat_mtrl-sci |
Strain-induced stabilization of Al functionalization in graphene oxide
nanosheet for enhanced NH3 storage: Strain effects on the stabilization of Al ad-atom on graphene
oxide(GO)nanosheet as well as its implications for NH3 storage have been
investigated using first-principles calculations.The binding energy of Al
ad... | cond-mat_mtrl-sci |
A novel coupled RPL/OSL system to understand the dynamics of the
metastable states: Metastable states form by charge (electron and hole) capture in defects in a
solid. They play an important role in dosimetry, information storage, and many
medical and industrial applications of photonics. Despite many decades of
rese... | cond-mat_mtrl-sci |
The nano-structural inhomogeneity of dynamic hydrogen bond network of
water: In the present study, water is considered as a dynamic network between
molecules at distances not exceeding 3.2 angstroms. The instantaneous
configurations obtained by using the molecular dynamics method have been
sequentially analyzed, the ... | cond-mat_mtrl-sci |
Digital Twins solve the mystery of Raman spectra of parental and reduced
graphene oxides: A still amazing identity of the D-G doublet Raman spectra of parental and
reduced graphene oxides is considered from the digital twins viewpoint. About
thirty DTs, presenting different aspects of the GO structure and properties,... | cond-mat_mtrl-sci |
Efficient prediction of grain boundary energies from atomistic
simulations via sequential design: Data based materials science is the new promise to accelerate materials
design. Especially in computational materials science, data generation can
easily be automatized. Usually, the focus is on processing and evaluating... | cond-mat_mtrl-sci |
First-principles Engineering of Charged Defects for Two-dimensional
Quantum Technologies: Charged defects in 2D materials have emerging applications in quantum
technologies such as quantum emitters and quantum computation. Advancement of
these technologies requires rational design of ideal defect centers, demanding
r... | cond-mat_mtrl-sci |
Accurate polarization within a unified Wannier function formalism: We present an alternative formalism for calculating the maximally localized
Wannier functions in crystalline solids, obtaining an expression which is
extremely simple and general. In particular, our scheme is exactly invariant
under Brillouin zone foldi... | cond-mat_mtrl-sci |
Self-Organized Graphene/Graphite Structures Obtained Directly on Paper: We experimentally investigated the properties of graphite layers produced by
an easy and non-conventional method of repeatedly rubbing conventional random
stacked graphite bulk against insulating and semiconductor substrates. The
patterned structur... | cond-mat_mtrl-sci |
Very low bias stress in n-type organic single crystal transistors: Bias stress effects in n-channel organic field-effect transistors (OFETs) are
investigated using PDIF-CN2 single-crystal devices with Cytop gate dielectric,
both under vacuum and in ambient. We find that the amount of bias stress is
very small as compar... | cond-mat_mtrl-sci |
Microstructural Effects of Chemical Island Templating in Patterned
Matrix-Pillar Oxide Nanocomposites: The ability to pattern the location of pillars in epitaxial matrix-pillar
nanocomposites is a key challenge to develop future technologies using these
intriguing materials. One such model system employs a ferrimagne... | cond-mat_mtrl-sci |
Submolecular resolution by variation of IETS amplitude and its relation
to AFM/STM signal: Here we show scanning tunnelling microscopy (STM), non-contact atomic force
microscopy (AFM) and inelastic electron tunnelling spectroscopy (IETS)
measurements on organic molecule with a CO- terminated tip at 5K. The
high-resol... | cond-mat_mtrl-sci |
Dielectric response of BaTiO3 electronic states under AC fields via
microsecond time-resolved X-ray absorption spectroscopy: For the first time, the dielectric response of a BaTiO3 thin film under an AC
electric field is investigated using time-resolved X-ray absorption
spectroscopy at the Ti K-edge to clarify correl... | cond-mat_mtrl-sci |
Sliding induced multiple polarization states in two-dimensional
ferroelectrics: When the atomic layers in a non-centrosymmetric van der Waals structure slide
against each other, the interfacial charge transfer results in a reversal of
the structures spontaneous polarization. This phenomenon is known as sliding
ferroe... | cond-mat_mtrl-sci |
Breakdown-limited endurance in HZO FeFETs: mechanism and improvement
under bipolar stress: Breakdown is one of main failure mechanisms that limit write endurance of
ferroelectric devices using hafnium oxide-based ferroelectric materials. In
this study, we investigate the gate current and breakdown characteristics of
... | cond-mat_mtrl-sci |
Anomalous electronic conductance in quasicrystals: Generic quantum interference effects occuring in 1D-quasicrystals are
reviewed with emphasis on the joint effect of phason disorder on electronic
localization and propagation modes. In close conjunction with properties of
real materials, the contributions of quantum in... | cond-mat_mtrl-sci |
Van der Waals density functionals applied to solids: The van der Waals density functional (vdW-DF) of Dion et al. [Phys. Rev.
Lett. 92, 246401 (2004)] is a promising approach for including dispersion in
approximate density functional theory exchange-correlation functionals. Indeed,
an improved description of systems he... | cond-mat_mtrl-sci |
A New Kind of Atlas of Zeolite Building Blocks: We have analysed structural motifs in the Deem database of hypothetical
zeolites, to investigate whether the structural diversity found in this
database can be well-represented by classical descriptors such as distances,
angles, and ring sizes, or whether a more general r... | cond-mat_mtrl-sci |
Comments on All-electron self-consistent GW in the Matsubara-time
domain: Implementation and benchmarks of semiconductors and insulators: Chu et al. recently reported extensive results of local density approximation
(LDA) and of four (4) different Green function and dressed Coulomb (GW)
approximation calculations of ... | cond-mat_mtrl-sci |
Two types of magnetic bubbles in MnNiGa observed via Lorentz microscopy: Magnetic bubbles are remarkable spin structures that developed in uniaxial
magnets with strong magnetocrystalline anisotropy. Several contradictory
reports have been published concerning the magnetic bubble structure in a
metallic magnet MnNiGa: B... | cond-mat_mtrl-sci |
Ultralow Work Function of the Electride Sr$_3$CrN$_3$: Electrides have valence electrons that occupy free space in the crystal
structure, making them easier to extract. This feature can be used in catalysis
for important reactions that usually requires a high-temperature and
high-pressure environments, such as ammonia ... | cond-mat_mtrl-sci |
Can single crystal X-ray diffraction determine a structure uniquely?: The diffraction technique is widely used in the determination of crystal
structures and is one of the bases for the modern science and technology. All
related structure determination methods are based on the assumption that
perfect single crystal X-r... | cond-mat_mtrl-sci |
Next-generation non-local van der Waals density functional: The fundamental ideas for a non-local density functional theory -- capable of
reliably capturing van der Waals interaction -- were already conceived in the
1990's. In 2004, a seminal paper introduced the first practical non-local
exchange-correlation functiona... | cond-mat_mtrl-sci |
Effect of acetylene links on electronic and optical properties of
semiconducting graphynes: The family of graphynes, novel two-dimensional semiconductors with various
and fascinating chemical and physical properties, has attracted great interest
from both science and industry. Currently, the focus of graphynes is on
... | cond-mat_mtrl-sci |
Quasi-Two-Dimensional Extraordinary Hall Effect: Quasi-two-dimensional transport is investigated in a system consisting of one
ferromagnetic layer placed between two insulating layers. Using the mechanism
of skew-scattering to describe the Extraordinary Hall Effect (EHE) and
calculating the conductivity tensor, we comp... | cond-mat_mtrl-sci |
Thermal Conductivity and Mechanical Properties of Nitrogenated Holey
Graphene: Nitrogenated holey graphene (NHG), a two-dimensional graphene-derived
material with a C2N stoichiometry and evenly distributed holes and nitrogen
atoms in its basal plane, has recently been synthesized. We performed first
principles calcul... | cond-mat_mtrl-sci |
Complete characterization of the macroscopic deformations of periodic
unimode metamaterials of rigid bars and pivots: A complete characterization is given of the possible macroscopic deformations
of periodic nonlinear affine unimode metamaterials constructed from rigid bars
and pivots. The materials are affine in the... | cond-mat_mtrl-sci |
The rise of Single-Atom Catalysts: In recent years, single-atom catalysts attracted lots of attention because of
their high catalytic activity, selectivity, stability, maximum atom
utilization, exceptional performance, and low cost. Single-atom catalyst
contains isolated individual atom which are coordinated with the s... | cond-mat_mtrl-sci |
GPU Acceleration of Large-Scale Full-Frequency GW Calculations: Many-body perturbation theory is a powerful method to simulate electronic
excitations in molecules and materials starting from the output of density
functional theory calculations. By implementing the theory efficiently so as to
run at scale on the latest ... | cond-mat_mtrl-sci |
Hydrogen trapping and embrittlement in high-strength Al-alloys: Ever more stringent regulations on greenhouse gas emissions from
transportation motivate efforts to revisit materials used for vehicles.
High-strength Al-alloys often used in aircrafts could help reduce the weight of
automobiles, but are susceptible to env... | cond-mat_mtrl-sci |
Magnetic behavior of a spin-1 dimer: model system for homodinuclear
nickel (II) complexes: Magnetic behavior of a spin-1 Heisenberg dimer is analysed in dependence on
both uniaxial single-ion anisotropy and XXZ exchange anisotropy in a zero- as
well as non-zero longitudinal magnetic field. A complete set of eigenfunc... | cond-mat_mtrl-sci |
Electronic and energetic properties of Ge(110) pentagons: The electronic and energetic properties of the elementary building block,
i.e. a five-membered atom ring (pentagon), of the Ge(110) surface was studied
by scanning tunneling microscopy and spectroscopy at room temperature. The
Ge(110) surface is composed of thre... | cond-mat_mtrl-sci |
Traversal of pulses through negative ($\varepsilon$, $μ$) materials: We study the traversal times of electromagnetic pulses across dispersive
media with negative dielectric permittivity ($\varepsilon$) and magnetic
permeability ($\mu$) parameters. First we investigate the transport of optical
pulses through an electric... | cond-mat_mtrl-sci |
Elastic properties and mechanical stability of bilayer graphene:
Molecular dynamics simulations: Graphene has become in last decades a paradigmatic example of two-dimensional
and so-called van-der-Waals layered materials, showing large anisotropy in
their physical properties. Here we study the elastic properties and ... | cond-mat_mtrl-sci |
New ultrahigh pressure phases of H2O ice predicted using an adaptive
genetic algorithm: We propose three new phases of H2O under ultrahigh pressure. Our structural
search was performed using an adaptive genetic algorithm which allows an
extensive exploration of crystal structure. The new sequence of
pressure-induced ... | cond-mat_mtrl-sci |
Low temperature investigations and surface treatments of colloidal
narrowband fluorescent nanodiamonds: We report fluorescence investigations and Raman spectroscopy on colloidal
nanodiamonds (NDs) obtained via bead assisted sonic disintegration (BASD) of a
polycrystalline chemical vapor deposition film. The BASD NDs ... | cond-mat_mtrl-sci |
Detecting Chiral Orbital Angular Momentum by Circular Dichroism ARPES: We show, by way of tight-binding and first-principles calculations, that a
one-to-one correspondence between electron's crystal momentum k and non-zero
orbital angular momentum (OAM) is a generic feature of surface bands. The OAM
forms a chiral stru... | cond-mat_mtrl-sci |
Nano-thermodynamics of chemically induced graphene-diamond
transformation: Nearly two-dimensional diamond, or diamane, is coveted as ultrathin
$sp^3$-carbon film with unique mechanics and electro-optics. The very thinness
($~h$) makes it possible for the surface chemistry, e.g. adsorbed atoms, to
shift the bulk phase... | cond-mat_mtrl-sci |
Microscopic theory of ionic motion in solid electrolytes: We propose a microscopic, first-principles description of the ionic
conduction in crystals. This formalism allows us to gain new insights into the
ideal characteristics of general ionic conducting materials and, in particular,
solid electrolytes. Using \textit{a... | cond-mat_mtrl-sci |
Limitations of ab initio methods to predict the electronic-transport
properties of two-dimensional materials: The computational example of
2H-phase transition metal dichalcogenides: Over the last few years, $ab~initio$ methods have become an increasingly
popular tool to evaluate intrinsic carrier transport properti... | cond-mat_mtrl-sci |
Magnetic kagome materials RETi3Bi4 family with weak interlayer
interactions: Kagome materials have attracted a surge of research interest recently,
especially for the ones combining with magnetism, and the ones with weak
interlayer interactions which can fabricate thin devices. However, kagome
materials combining bot... | cond-mat_mtrl-sci |
Electronic Janus lattice and kagome-like bands in coloring-triangular
MoTe2 monolayers: Polymorphic structures of transition-metal dichalcogenides (TMDs) host exotic
electronic states, like charge density wave and superconductivity. However, the
number of these structures is limited by crystal symmetries, which poses... | cond-mat_mtrl-sci |
Pressure tuning the Fermi-surface topology of the Weyl semimetal NbP: We report on the pressure evolution of the Fermi surface topology of the Weyl
semimetal NbP, probed by Shubnikov-de Haas oscillations in the
magnetoresistance combined with ab-initio calculations of the band-structure.
Although we observe a drastic e... | cond-mat_mtrl-sci |
Recent advances in the internal functionalization of carbon nanotubes:
synthesis, optical, and magnetic resonance studies: The hollow inside of single-wall carbon nanotubes (SWCNT) provides a unique
degree of freedom to investigate chemical reactions inside this confined
environment and to study the tube properties. ... | cond-mat_mtrl-sci |
Native point defects in few-layer phosphorene: Using hybrid density functional theory combined with a semiempirical van der
Waals dispersion correction, we have investigated the structural and electronic
properties of vacancies and self-interstitials in defective few-layer
phosphorene. We find that both a vacancy and a... | cond-mat_mtrl-sci |
${\it Ab\ initio}$ thermodynamic properties of certain compounds in
Nd-Fe-B system: In this work, we report the results of \emph{ab initio} calculations of
thermochemical properties of several compounds in the Fe-Nd, B-Nd and B-Fe-Nd
systems. We have performed DFT+U calculations to compute the enthalpy of
formation o... | cond-mat_mtrl-sci |
Jacutingaite-family: a class of topological materials: Jacutingate, a recently discovered Brazilian naturally occurring mineral, has
shown to be the first experimental realization of the Kane-Mele topological
model. In this letter we have unveiled a class of materials $M_2NX_3$ ($M$=Ni,
Pt, Pd; $N$=Zn, Cd, Hg; and $X$=... | cond-mat_mtrl-sci |
Challenges for density functional theory in simulating metal-metal
singlet bonding: a case study of dimerized VO2: VO2 is renowned for its electric transition from an insulating monoclinic
(M1) phase characterized by V-V dimerized structures, to a metallic rutile (R)
phase above 340 Kelvin. This transition is accompa... | cond-mat_mtrl-sci |
An ab-initio study on physical properties of Pd2+ incorporated double
perovskites CaPd3B4O12 (B = Ti, V): Numerous physical properties of CaPd3Ti4O12 (CPTO) and CaPd3V4O12 (CPVO)
double perovskites have been explored based on density functional theory (DFT).
The calculated structural parameters fairly agree with the ... | cond-mat_mtrl-sci |
Study of anharmonicity in Zirconium Hydrides using inelastic neutron
scattering and ab-initio computer modeling: The anharmonic phenomena in Zirconium Hydrides and Deuterides, including
{\epsilon}-ZrH2, {\gamma}-ZrH, and {\gamma}-ZrD, have been investigated from
aspects of inelastic neutron scattering (INS) and latti... | cond-mat_mtrl-sci |
Spin wavepackets in the Kagome ferromagnet Fe$_3$Sn$_2$: propagation and
precursors: The propagation of spin waves in magnetically ordered systems has emerged as
a potential means to shuttle quantum information over large distances.
Conventionally, the arrival time of a spin wavepacket at a distance, $d$, is
assumed ... | cond-mat_mtrl-sci |
Controllable thickness inhomogeneity and Berry-curvature-engineering of
anomalous Hall effect in SrRuO3 ultrathin films: In quantum matters hosting electron-electron correlation and spin-orbit
coupling, spatial inhomogeneities, arising from competing ground states, can be
essential for determining and understanding t... | cond-mat_mtrl-sci |
Simple prediction of immiscible metal alloying based on metastability
analysis: It has been known that even though two elemental metals, $X$ and $Y$, are
immiscible, they can form alloys on surfaces of other metal $Z$. In order to
understand such surface alloying of immiscible metals, we study the energetic
stability... | cond-mat_mtrl-sci |
Melting of graphene: from two to one dimension: The high temperature behaviour of graphene is studied by atomistic
simulations based on an accurate interatomic potential for carbon. We find that
clustering of Stone-Wales defects and formation of octagons are the first steps
in the process of melting which proceeds via ... | cond-mat_mtrl-sci |
Exploring conformational energy landscape of glassy disaccharides by
CPMAS 13C NMR and DFT/GIAO simulations. II. Enhanced molecular flexibility in
amorphous trehalose: This paper deals with the comparative use of the chemical shift surfaces to
simulate experimental 13C CPMAS data on amorphous solid state disacchari... | cond-mat_mtrl-sci |
Topological Crystalline Insulator Nanostructures: Topological crystalline insulators are topological insulators whose surface
states are protected by the crystalline symmetry, instead of the time reversal
symmetry. Similar to the first generation of three-dimensional topological
insulators such as Bi2Se3 and Bi2Te3, to... | cond-mat_mtrl-sci |
Phase locking of vortex based spin transfer oscillators to a microwave
current: Phase locking experiments on vortex based spin transfer oscillators with an
external microwave current are performed. We present clear evidence of phase
locking, frequency pulling, as well as fractional synchronization in this
system, wit... | cond-mat_mtrl-sci |
Quasi-equilibrium optical nonlinearities in spin-polarized GaAs: Semiconductor Bloch equations, which microscopically describe the dynamics of
a Coulomb interacting, spin-unpolarized electron-hole plasma, can be solved in
two limits: the coherent and the quasi-equilibrium regime. These equations have
been recently exte... | cond-mat_mtrl-sci |
Second-phase nucleation on an edge dislocation: A model for nucleation of second phase at or around dislocation in a
crystalline solid is considered. The model employs the Ginzburg-Landau theory
of phase transition comprising the sextic term in order parameter in the Landau
free energy. The ground state solution of the... | cond-mat_mtrl-sci |
Giant thermoelectric figure of merit in multivalley
high-complexity-factor LaSO: We report a giant thermoelectric figure of merit $ZT$ (up to 6 at 1100 K) in
$n$-doped lanthanum oxysulphate LaSO. Thermoelectric coefficients are computed
from ab initio bands within Bloch-Boltzmann theory in an energy-, chemical
potent... | cond-mat_mtrl-sci |
Static Hopf Solitons and Knotted Emergent Fields in Solid-State
Noncentrosymmetric Magnetic Nanostructures: Two-dimensional topological solitons, commonly called Skyrmions, are
extensively studied in solid-state magnetic nanostructures and promise many
spintronics applications. However, three-dimensional topological ... | cond-mat_mtrl-sci |
Creating and modulating electronic states on noble metal surfaces:
ultrathin Ag islands on Si(111)-7$\times$7 as a prototype: Various-thickness Ag islands were prepared on Si(111)-7$\times$7 using the
one-step deposition at a high substrate temperature. An electronic state
centered at -0.40$\sim$-0.15eV versus E$_{Fe... | cond-mat_mtrl-sci |
Ground-state polariton condensation in 2D-GaAs semiconductor
microcavities: We observe ground-state polariton condensation in a two dimensional GaAs/AlAs
semiconductor microcavity under non resonant pulsed optical excitation. We
resolve the formation of a polariton condensate by studying the spatial,
angular, coheren... | cond-mat_mtrl-sci |
Optical Rotatory Dispersion of $α$-quartz: It is shown that some formulae describing optical rotatory dispersion of
$\alpha$-quartz with the aid of two Drude's terms reduce to the combined
formula containing one Drude's and one Chandrasekhar's term. Comparison of
various formulae describing the experimental data of $\a... | cond-mat_mtrl-sci |
Theory of volumetric capacitance of an electric double-layer
supercapacitor: Electric double layer supercapacitors are a fast-rising class of high-power
energy storage devices based on porous electrodes immersed in a concentrated
electrolyte or ionic liquid. As of yet there is no microscopic theory to
describe their ... | cond-mat_mtrl-sci |
A comparison of Monte-Carlo simulations using RESTRAX and McSTAS with
experiment on IN14: Monte-Carlo simulations of a focusing supermirror guide after the
monochromator on the IN14 cold neutron three-axis spectrometer, I.L.L. were
carried out using the instrument simulation programs RESTRAX and McSTAS. The
simulatio... | cond-mat_mtrl-sci |
Molecular Beam Epitaxy of a Half-Heusler Topological Superconductor
Candidate YPtBi: The search for topological superconductivity has motivated investigations
into materials that combine topological and superconducting properties. The
half-Heusler compound YPtBi appears to be such a material, however experiments
have... | cond-mat_mtrl-sci |
Sn delta-doping in GaAs: We have prepared a number of GaAs structures delta-doped by Sn using the
well-known molecular beam epitaxy growth technique. The samples obtained for a
wide range of Sn doping densities were characterised by magnetotransport
experiments at low temperatures and in high magnetic fields up to 38 T... | cond-mat_mtrl-sci |
Low-temperature Raman scaterring of PMN-PT close to the morphotropic
phase boundary: This paper has been withdrawn by the author due to a crucial sign error in
equation. | cond-mat_mtrl-sci |
Energy landscape of relaxed amorphous silicon: We analyze the structure of the energy landscape of a well-relaxed 1000-atom
model of amorphous silicon using the activation-relaxation technique (ART
nouveau). Generating more than 40,000 events starting from a single minimum, we
find that activated mechanisms are local i... | cond-mat_mtrl-sci |
Effects of the Position Reversal of Friction Pairs on the Strength of
Tribocharging and Tribodischarging: The friction-induced charging (i.e., tribocharging) and the following
discharging (referred here as tribodischarging) are always believed to have
negative effects on the daily life and on the industrial productio... | cond-mat_mtrl-sci |
Influence of surface anisotropy on the hysteresis of magnetic
nanoparticles: We present the results of Monte Carlo simulations of the magnetic properties
of individual spherical nanoparticles with the aim to explain the role played
by surface anisotropy on their low temperature magnetization processes. Phase
diagrams... | cond-mat_mtrl-sci |
A One-Dimensional Coordination Polymer, BBDTA-InCl4; Possible
Spin-Peierls Transition with High Critical Temperature of 108 K: We have studied the crystal structure and magnetic properties of the organic
radical cation salt, BBDTA-InCl4. This material formed a one-dimensional
coordination polymer, whose structure was... | cond-mat_mtrl-sci |
Twin interaction with $Σ$11 tilt grain boundaries in BCC Fe :
Formation of new grain boundaries: It is well known that the twinning is an important mode of plastic
deformation in nanocrystalline materials. As a result, it is expected that the
twin can interact with different grain boundaries (GBs) during the plastic
... | cond-mat_mtrl-sci |
Simulation of stress-impedance effects in low magnetostrictive films: A theoretical study of stress-impedance effect based on the solution of
Landau-Lifsitz-Gilbert equation has been carried out. The results show that
stress impedance effects depend largely on several extrinsic (external bias
field, external frequency)... | cond-mat_mtrl-sci |
Patterns and driving forces of dimensionality-dependent charge density
waves in 2H-type transition metal dichalcogenides: Two-dimensional (2D) materials have become a fertile playground for the
exploration and manipulation of novel collective electronic states. Recent
experiments have unveiled a variety of robust 2D ... | cond-mat_mtrl-sci |
Phonon-mediated sticking of electrons at dielectric surfaces: We study phonon-mediated temporary trapping of an electron in
polarization-induced external surface states (image states) of a dielectric
surface. Our approach is based on a quantum-kinetic equation for the occupancy
of the image states. It allows us to dist... | cond-mat_mtrl-sci |
The effect of intrinsic point defects on ferroelectric polarization
behavior of SrTiO$_3$: The effect of a variety of intrinsic defects and defect clusters in bulk and
thin films of SrTiO$_3$ on ferroelectric polarization and switching mechanism
is investigated by means of density-functional-theory (DFT) based calcul... | cond-mat_mtrl-sci |
Time-, spin-, and angle-resolved photoemission spectroscopy with a 1-MHz
10.7-eV pulse laser: We describe a setup of time-, spin-, and angle-resolved photoemission
spectroscopy (tr-SARPES) employing a 10.7-eV ($\lambda$=115.6 nm) pulse laser
at 1-MHz repetition rate as a probe photon source. This equipment effectivel... | cond-mat_mtrl-sci |
Understanding correlations in BaZrO3:Structure and dynamics on the
nano-scale: Barium zirconate BaZrO3 is one of few perovskites that is claimed to retain
an average cubic structure down to 0K at ambient pressure, while being
energetically very close to a tetragonal phase obtained by condensation of a
soft phonon mod... | cond-mat_mtrl-sci |
First principles calculations of steady-state voltage-controlled
magnetism: application to x-ray absorption spectroscopy experiment: Recent x-ray absorption experiments have demonstrated the possibility to
accurately monitor the magnetism of metallic hetero-structures controlled via a
time-independent perturbation ca... | cond-mat_mtrl-sci |
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