publicationDate stringlengths 1 2.79k | title stringlengths 1 36.5k ⌀ | abstract stringlengths 1 37.3k ⌀ | id stringlengths 9 47 |
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2023-04-23 | Hierarchical bubble size distributions in coarsening wet liquid foams | Coarsening of two-phase systems is crucial for the stability of dense
particle packings such as alloys, foams, emulsions or supersaturated solutions.
Mean field theories predict an asymptotic scaling state with a broad particle
size distribution. Aqueous foams are good model systems for investigations of
coarsening-ind... | 2304.11543v2 |
2023-05-09 | Turing Pattern and Chemical Medium-Range Order of Metallic glasses | The formation of bulk metallic glass requires the constituent elements to
have a negative heat of mixing but has no restrictions on its magnitude. An
understanding of this issue is lacking due to the absence of a valid method for
describing chemical ordering of metallic glasses. For example, the radial
distribution fun... | 2305.05357v1 |
2023-06-09 | A Large-Scale Pad-Sensor Based Prototype of the Silicon Tungsten Electromagnetic Calorimeter for the Forward Direction in ALICE at LHC | We constructed a large-scale electromagnetic calorimeter prototype as a part
of the Forward Calorimeter upgrade project (FoCal) for the ALICE experiment at
the Large Hadron Collider (LHC). The prototype, also known as ``Mini FoCal'',
consists of 20 layers of silicon pad sensors and tungsten alloy plates with
printed ci... | 2306.06153v2 |
2023-06-26 | Elucidating Interfacial Dynamics of Ti-Al Systems Using Molecular Dynamics Simulation and Markov State Modeling | Due to their remarkable mechanical and chemical properties, Ti-Al based
materials are attracting considerable interest in numerous fields of
engineering, such as automotive, aerospace, and defense. With their low
density, high strength, and resistance to corrosion and oxidation, these
intermetallic alloys and compound ... | 2306.14568v2 |
2023-06-29 | Registration between DCT and EBSD datasets for multiphase microstructures | The ability to characterise the three-dimensional microstructure of
multiphase materials is essential for understanding the interaction between
phases and associated materials properties. Here, laboratory-based
diffraction-contrast tomography (DCT), a recently-established materials
characterization technique that can d... | 2306.17011v1 |
2023-06-30 | Screening Mixed-Metal Sn$_2$M(III)Ch$_2$X$_3$ Chalcohalides for Photovoltaic Applications | Quaternary mixed-metal chalcohalides (Sn$_2$BCh$_2$X$_3$) are emerging as
promising lead-free perovskite-inspired photovoltaic absorbers. Motivated by
recent developments of a first Sn$_2$BCh$_2$X$_3$-based device, we used density
functional theory to identify lead-free Sn$_2$BCh$_2$X$_3$ materials that are
structurall... | 2306.17745v2 |
2023-07-25 | Topological Insulator VxBi1.08-xSn0.02Sb0.9Te2S as a Promising n-type Thermoelectric Material | As one of the most important n-type thermoelectric (TE) materials, Bi2Te3 has
been studied for decades, with efforts to enhance the thermoelectric
performance based on element doping, band engineering, etc. In this study, we
report a novel bulk-insulating topological material system as a replacement for
n-type Bi2Te3 m... | 2307.13395v1 |
2023-07-29 | Flow states and heat transport in liquid metal convection | We present an experimental study of Rayleigh-B\'enard convection using liquid
metal alloy gallium-indium-tin as the working fluid with a Prandtl number of
$Pr=0.029$. The flow state and the heat transport were measured in a Rayleigh
number range of $1.2\times10^{4} \le Ra \le 1.3\times10^{7}$. The temperature
fluctuati... | 2307.15885v1 |
2023-09-21 | Life Cycle Analysis of the GRAND Experiment | The goal of our study is to assess the environmental impact of the
installation and use of the Giant Radio Array for Neutrino Detection (GRAND)
prototype detection units, based on the life cycle assessment (LCA)
methodology, and to propose recommendations that contribute to reduce the
environmental impacts of the proje... | 2309.12282v1 |
2023-10-03 | Dual-resonance nanostructures for colour down-conversion of colloidal quantum emitters | Linear colour conversion is a process where an emitter absorbs a photon and
then emits another photon with either higher or lower energy, corresponding to
up- or down conversion, respectively. In this regard, the presence of a
volumetric cavity plays a crucial role in enhancing absorption and
photoluminescence (PL), as... | 2310.02091v1 |
2023-09-12 | Innovative NiAl Electrodes for Long-Term, Intermediate High-Temperature SAW Sensing Applications Using LiNbO$_3$ Substrates | Wireless SAW reflective delay line (R-DL) technology is very powerful to
carry out remote measurements of various parameters under harsh environments,
while enabling the identification of a given sensor among several of them.
However, R-DL technology is currently limited to 350$^\circ$C for long-term
applications, like... | 2310.11456v1 |
2023-10-23 | Heterogeneity in tribologically transformed structure (TTS) of Ti-6Al-4V under fretting | Fretting wear is a surface degradation process caused by oscillatory motion
and contact slipping. During gross slip, high local stresses and plastic
deformation in the surface and subsurface can lead to the creation of a
nanosized grained structure called Tribologically Transformed Structure (TTS).
The current paper st... | 2310.14668v1 |
2023-11-07 | Analysis and Applications of Deep Learning with Finite Samples in Full Life-Cycle Intelligence of Nuclear Power Generation | The advent of Industry 4.0 has precipitated the incorporation of Artificial
Intelligence (AI) methods within industrial contexts, aiming to realize
intelligent manufacturing, operation as well as maintenance, also known as
industrial intelligence. However, intricate industrial milieus, particularly
those relating to en... | 2311.04247v1 |
2023-11-13 | Engineering 2D material exciton lineshape with graphene/h-BN encapsulation | Control over the optical properties of atomically thin two-dimensional (2D)
layers, including those of transition metal dichalcogenides (TMDs), is needed
for future optoelectronic applications. Remarkable advances have been achieved
through alloying, chemical and electrical doping, and applied strain. However,
the inte... | 2311.07085v1 |
2023-11-17 | Structural and magnetic properties of molecular beam epitaxy (MnSb2Te4)x(Sb2Te3)1-x topological materials with exceedingly high Curie temperature | Tuning magnetic properties of magnetic topological materials is of interest
to realize elusive physical phenomena such as quantum anomalous hall effect
(QAHE) at higher temperatures and design topological spintronic devices.
However, current topological materials exhibit Curie temperature (TC) values
far below room tem... | 2311.10891v1 |
2023-12-12 | Understanding disorder in Silicon quantum computing platforms: Scattering mechanisms in Si/SiGe quantum wells | Motivated by recent experiments on Si/SiGe quantum wells with a co-design of
high electron mobility and large valley splitting [B. Paquelet Wuetz, et al.,
Nature Communications 14, 1385 (2023); D. D. Esposti, et al.,
arXiv:2309.02832], suitable for a Si-based spin qubit quantum computing
platform, we examine the role o... | 2312.07717v1 |
2023-12-30 | Rheological characterization of a thixotropic semisolid slurry by means of numerical simulations of squeeze flow experiments | We propose a methodology for the rheological characterization of a semisolid
metal slurry using experimental squeeze flow data. The slurry is modeled as a
structural thixotropic viscoplastic material, obeying the regularized
Herschel-Bulkley constitutive equation. All rheological parameters are assumed
to vary with the... | 2401.00178v1 |
2024-02-05 | 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 are prepared by reactive direct current
magnetron co-sputtering from liquid/solid gallium/zinc targets onto fused
quartz substrates; the ... | 2402.03000v1 |
2024-02-05 | Transfer-printed multiple Ge$_{0.89}$Sn$_{0.11}$ membrane mid-infrared photodetectors | Due to their narrow band gap and compatibility with silicon processing,
germanium-tin (Ge$_{1-x}$Sn$_x$) alloys are a versatile platform for scalable
integrated mid-infrared photonics. These semiconductors are typically grown on
silicon wafers using Ge as an interlayer. However, the large lattice mismatch
in this heter... | 2402.03462v1 |
2024-02-06 | Interpretable Multi-Source Data Fusion Through Latent Variable Gaussian Process | With the advent of artificial intelligence (AI) and machine learning (ML),
various domains of science and engineering communites has leveraged data-driven
surrogates to model complex systems from numerous sources of information
(data). The proliferation has led to significant reduction in cost and time
involved in deve... | 2402.04146v2 |
2024-02-11 | Resonant soft X-ray scattering reveals hierarchical structure in a multi-component vapor-deposited glass | Multi-phase vapor-deposited glasses are an important class of materials for
organic electronics, particularly organic photovoltaics and thermoelectrics.
These blends are frequently regarded as molecular alloys and there have been
few studies of their structure at nanometer scales. Here we show that a
co-deposited syste... | 2402.07280v1 |
2024-03-02 | Europa's structural conditions for the existence of subsurface ocean and the absence of metallic core-driven magnetic field | Europa's interior is expected to be divided into the metallic core, rocky
mantle and hydrosphere based on the moment of inertia factor estimated from
gravity field measurements. Specifically, the thickness of the outermost water
layer is 120-170 km, and the radius of the metallic core is 0.12-0.43 times the
surface rad... | 2403.01336v1 |
2024-03-18 | Tuning of the ultrafast demagnetization by ultrashort spin polarized currents in multi-sublattice ferrimagnets | Femtosecond laser pulses can be used to induce ultrafast changes of the
magnetization in magnetic materials. Several microscopic mechanisms have been
proposed to explain the observations, including the transport of ultrashort
spin-polarized hot-electrons (SPHE). Such ultrafast spin currents find growing
interest becaus... | 2403.11739v2 |
2024-04-08 | The geometry of high-dimensional phase diagrams: II. The duality between closed and open chemical systems | Modern materials are often synthesized or operated in complex chemical
environments, where there can be numerous elemental species, competing phases,
and reaction pathways. When analyzing reactions using the Gibbs free energy,
which has a natural variable of composition, it is often cumbersome to solve
for the equilibr... | 2404.05197v2 |
2013-11-28 | Predicting the steady state thickness of passive films with the Point Defect Model in fretting corrosion experiments | Some implants have approximately a lifetime of 15 years. The femoral stem,
for example, should be made of 316L/316LN stainless steel. Fretting corrosion,
friction under small displacements, should occur during human gait, due to
repeated loadings and un-loadings, between stainless steel and bone for
instance. Some expe... | 1311.7224v1 |
2015-12-04 | Detection of thermal neutrons with the PRISMA-YBJ array in Extensive Air Showers selected by the ARGO-YBJ experiment | We report on a measurement of thermal neutrons, generated by the hadronic
component of extensive air showers (EAS), by means of a small array of
EN-detectors developed for the PRISMA project (PRImary Spectrum Measurement
Array), novel devices based on a compound alloy of ZnS(Ag) and $^{6}$LiF. This
array has been opera... | 1512.01326v2 |
2020-05-07 | Materials for hydrogen-based energy storage: Past, recent progress and future outlook | Magnesium hydride owns the largest share of publications on solid materials
for hydrogen storage. The Magnesium group of international experts contributing
to IEA Task 32 Hydrogen Based Energy Storage recently published two review
papers presenting the activities of the group focused on magnesium hydride
based material... | 2005.03410v1 |
2021-08-26 | The microstructural dependence of ionic transport in bi-continuous nanoporous metal | Ionic transports in nanopores hold the key to unlocking the full potential of
bi-continuous nanoporous (NP) metals as advanced electrodes in electrochemical
devices. The precise control of the uniform NP metal structures also provides
us a unique opportunity to understand how complex structures determine
transports at ... | 2108.11529v1 |
2022-09-30 | MICROSCOPE mission: final results of the test of the Equivalence Principle | The MICROSCOPE mission was designed to test the Weak Equivalence Principle
(WEP), stating the equality between the inertial and the gravitational masses,
with a precision of $10^{-15}$ in terms of the E\"otv\"os ratio $\eta$. Its
experimental test consisted of comparing the accelerations undergone by two
collocated tes... | 2209.15487v1 |
2022-09-30 | Result of the MICROSCOPE Weak Equivalence Principle test | The space mission MICROSCOPE dedicated to the test of the Equivalence
Principle (EP) operated from April 25, 2016 until the deactivation of the
satellite on October 16, 2018. In this analysis we compare the free-fall
accelerations ($a_{\rm A}$ and $a_{\rm B}$) of two test masses in terms of the
E\"otv\"os parameter $\e... | 2209.15488v1 |
2022-11-03 | Little Tricky Logic: Misconceptions in the Understanding of LTL | Context: Linear Temporal Logic (LTL) has been used widely in verification.
Its importance and popularity have only grown with the revival of temporal
logic synthesis, and with new uses of LTL in robotics and planning activities.
All these uses demand that the user have a clear understanding of what an LTL
specification... | 2211.01677v1 |
2023-08-29 | Discovery of Spherules of Likely Extrasolar Composition in the Pacific Ocean Site of the CNEOS 2014-01-08 (IM1) Bolide | We have conducted an extensive towed-magnetic-sled survey during the period
14-28 June, 2023, over the seafloor centered around the calculated path of the
bolide CNEOS 2014-01-08 (IM1) about 85 km north of Manus Island, Papua New
Guinea. We found about 700 spherules of diameter 0.05-1.3 millimeters in our
samples, of w... | 2308.15623v1 |
2015-12-21 | The secret harmony of the random disorder, revealed in the paper sheet | This study is about the properties of the sets of objects associated in a
structure resulting from multiple-processes involving chance as are materials
whose texture is unordered and random. Being a paper scientist the author
refers to the sheet of paper which is a stochastic fibrous set whose porous
texture can be con... | 1512.08505v1 |
2023-02-20 | GRBAlpha: the smallest astrophysical space observatory -- Part 1: Detector design, system description and satellite operations | Aims. Since launched on 2021 March 22, the 1U-sized CubeSat GRBAlpha operates
and collects scientific data on high-energy transients, making it the smallest
astrophysical space observatory to date. GRBAlpha is an in-obit demonstration
of a gamma-ray burst (GRB) detector concept suitably small to fit into a
standard 1U ... | 2302.10048v2 |
2016-12-18 | Heusler 4.0: Tunable Materials | Heusler compounds are a large family of binary, ternary and quaternary
compounds that exhibit a wide range of properties of both fundamental and
potential technological interest. The extensive tunability of the Heusler
compounds through chemical substitutions and structural motifs makes the family
especially interestin... | 1612.05947v2 |
2014-09-23 | Guidelines for understanding cubic manganese-rich Heusler compounds | Manganese-rich Heusler compounds are attracting much interest in the context
of spin transfer torque and rare-earth free hard magnets. Here we give a
comprehensive overview of the magnetic properties of non-centrosymmetric cubic
Mn$_2$-based Heusler materials, which are characterized by an antiparallel
coupling of magn... | 1409.6532v1 |
2018-12-18 | Atomistic study of an ideal metal/thermoelectric contact: the full-Heusler/half-Heusler interface | Half-Heusler alloys such as the (Zr,Hf)NiSn intermetallic compounds are
important thermoelectric materials for converting waste heat into electricity.
Reduced electrical resistivity at the hot interface between the half-Heusler
material and a metal contact is critical for device performance, however this
has yet to be ... | 1812.07189v1 |
2013-01-12 | Effect of Co-Fe substitutions on the room-temperature spin polarization in Co_3-xFe_xSi Heusler-compound films | Using low-temperature molecular beam epitaxy, we study substitutions of Fe
atoms for Co ones in Co_3-xFe_xSi Heusler-compound films grown on Si and Ge.
Even for the low-temperature grown Heusler-compound films, the Co-Fe atomic
substitution at A and C sites can be confirmed by the conversion electron
M"ossbauer spectro... | 1301.2645v1 |
2002-11-14 | Preparation and structural properties of thin films and multilayers of the Heusler compounds Cu2MnAl, Co2MnSn, Co2MnSi and Co2MnGe | We report on the preparation of thin films and multilayers of the
intermetallic Heusler compound CuMnAl, Co2MnSn, Co2MnSi and Co2MnGe by
rf-sputtering on MgO and Al2O3 substrates. Cu2MnAl can be grown epitaxially
with (100)-orientation on MgO (100) and in (110)-orientation on Al2O3 a-plane.
The Co based Heusler alloys ... | 0211271v1 |
2019-05-09 | Half-Heusler Compounds: Promising Materials For Mid-To-High Temperature Thermoelectric Conversion | Half-Heusler compounds (space group Fm3m) has garnered increasing attention
in recent years in the thermoelectric community. Three decades ago, refractory
RNiSn half-Heusler compounds (R represents refractory metals such as Hf, Zr,
Ti) were found to be narrow-gap semiconductors with large Seebeck coefficients
in 100s o... | 1905.03845v1 |
2007-05-25 | Ferrimagnetism and antiferromagnetism in half-metallic Heusler alloys | Half-metallic Heusler alloys are among the most promising materials for
future applications in spintronic devices. Although most Heusler alloys are
ferromagnets, ferrimagnetic or antiferromagnetic (also called fully-compensated
ferrimagnetic) alloys would be more desirable for applications due to the lower
external fie... | 0705.3731v1 |
2018-12-04 | Recent Advances in Thermoelectric Performance of Half-Heusler Compounds | Half-Heusler phases (space group F43m, C1b) have recently captured much
attention as promising thermoelectric materials for heat-to-electric power
conversion in the mid-to-high temperature range. The most studied ones are the
RNiSn-type half-Heusler compounds, where R represents refractory metals Hf, Zr,
and Ti. These ... | 1812.01709v1 |
2005-10-11 | Introduction to half-metallic Heusler alloys: Electronic Structure and Magnetic Properties | Intermetallic Heusler alloys are amongst the most attractive half-metallic
systems due to the high Curie temperatures and the structural similarity to the
binary semiconductors. In this review we present an overview of the basic
electronic and magnetic properties of both Heusler families: the so-called
half-Heusler all... | 0510276v1 |
2005-11-18 | Investigation of Co$_2$FeSi: The Heusler compound with Highest Curie Temperature and Magnetic Moment | This work reports on structural and magnetic investigations of the Heusler
compound Co$_2$FeSi. X-Ray diffraction and M\"o\ss bauer spectrometry indicate
an ordered $L2_1$ structure. Magnetic measurements by means of X-ray magnetic
circular dichroism and magnetometry revealed that this compound is, currently,
the mater... | 0511462v1 |
2019-01-28 | An Enormous Class of Double Half-Heusler Compounds with Low Thermal Conductivity | Since their discovery around a century ago, the structure and chemistry of
the multi-functional half-Heusler semiconductors have been studied extensively
as three component systems. The elemental groups constituting these ternary
compounds with the nominal formula XYZ are well established. From the very same
set of wel... | 1901.09800v1 |
2023-06-29 | High-throughput design of all-d-metal Heusler alloys for magnetocaloric applications | Due to their versatile composition and customizable properties, A$_2$BC
Heusler alloys have found applications in magnetic refrigeration, magnetic
shape memory effects, permanent magnets, and spintronic devices. The discovery
of all-$d$-metal Heusler alloys with improved mechanical properties compared to
those containi... | 2306.17092v1 |
2018-02-13 | Designing and discovering a new family of semiconducting quaternary Heusler compounds based on the 18-electron rule | Intermetallic compounds with sizable band gaps are attractive for their
unusual properties but rare. Here, we present a new family of stable
semiconducting quaternary Heusler compounds, designed and discovered by means
of high-throughput \textit{ab initio} calculations based on the 18-electron
rule. The 99 new semicond... | 1802.04875v1 |
2005-09-18 | Covalent bonding and the nature of band gaps in some half-Heusler compounds | Half-Heusler compounds \textit{XYZ}, also called semi-Heusler compounds,
crystallize in the MgAgAs structure, in the space group $F\bar43m$. We report a
systematic examination of band gaps and the nature (covalent or ionic) of
bonding in semiconducting 8- and 18- electron half-Heusler compounds through
first-principles... | 0509472v1 |
2005-10-08 | Slater-Pauling Rule and Curie-Temperature of Co$_2$-based Heusler compounds | A concept is presented serving to guide in the search for new materials with
high spin polarization. It is shown that the magnetic moment of half-metallic
ferromagnets can be calculated from the generalized Slater-Pauling rule.
Further, it was found empirically that the Curie temperature of Co$_2$ based
Heusler compoun... | 0510210v1 |
2011-09-26 | Anomalous Hall effect in the Co-based Heusler compounds Co$_{2}$FeSi and Co$_{2}$FeAl | The anomalous Hall effect (AHE) in the Heusler compounds Co$_{2}$FeSi and
Co$_{2}$FeAl is studied in dependence of the annealing temperature to achieve a
general comprehension of its origin. We have demonstrated that the crystal
quality affected by annealing processes is a significant control parameter to
tune the elec... | 1109.5498v1 |
2012-11-01 | Prediction of topological insulating behavior in Hg2CuTi-type Heusler compounds from first principles | The topological band structures of the X2YZ Heusler compounds with the
Hg2CuTi structure are investigated by using first-principles calculations
within density functional theory. Our results clearly show that a large number
of the Hg2CuTi type Heusler compounds naturally exhibit distinct band-inversion
feature, which i... | 1211.0190v1 |
2013-09-27 | A first-principles investigation of the thermodynamic and mechanical properties of Ni-Ti-Sn Heusler and half-Heusler materials | First principles calculations of the vibrational, thermodynamic and
mechanical properties of the Ni-Ti-Sn Heusler and half-Heusler compounds have
been performed. First, we have calculated the Raman and infrared spectra of
NiTiSn, providing benchmark theoretical data directly useful for the
assignments of its experiment... | 1309.7195v1 |
2015-04-13 | Evidence for Localized Moment Picture in Mn-based Heusler Compounds | X-ray absorption spectroscopy (XAS) and X-ray magnetic circular dichroism
(XMCD) were used to probe the oxidation state and element specific magnetic
moments of Mn in Heusler compounds with different crystallographic structure.
The results were compared with theoretical calculations, and it was found that
in full Heusl... | 1504.03088v1 |
2021-09-03 | Magnetic Properties of the Heusler Ru$_2$Mn$_X$ ($X$ = Nb, Ta or V) Compounds: Monte Carlo Simulations | In this paper, we have focused on a comparison of the different magnetic
properties of the three nano-Heusler Ru$_2$Mn$_X$ (X = Nb, Ta or V) compounds
using the Blume-Capel Ising model. The Heusler structures are composed by
different mixed spins. In fact, the Ru and Mn atoms are modeled by spin-5/2 and
spin-1/2, respe... | 2109.01708v1 |
2022-06-23 | A general rule for predicting the magnetic moment of Cobalt-based Heusler compounds using compressed sensing and density functional theory | We propose a general rule for estimating the magnetic moments of Co$
2$(cobalt)-based Heusler alloys, especially when doped with late transition
metals. We come up with a descriptor that can characterise both pure Co$_2$YZ
compounds and the doped ones with the chemical formula Co$_2$Y$_{1-x}$M$_x$Z (M
is the dopant) us... | 2206.11635v3 |
2018-02-11 | Heusler, Weyl, and Berry | Heusler materials, initially discovered by Fritz Heusler more than a century
ago, have grown into a family of more than 1000 compounds, synthesized from
combinations of more than 40 elements. These materials show a wide range of
properties, but new properties are constantly being found. Most recently, by
incorporating ... | 1802.03771v1 |
2020-10-23 | Machine-Learning-based Prediction of Lattice Thermal Conductivity for Half-Heusler Compounds using Atomic Information | The half-Heusler compound has drawn attention in a variety of fields as a
candidate material for thermoelectric energy conversion and spintronics
technology. This is because it has various electronic structures, such as
semi-metals, semiconductors, and a topological insulator. When the half-Heusler
compound is incorpor... | 2010.12467v1 |
2023-05-04 | Experimental observation of spin glass state in highly disordered quaternary Heusler alloy FeRuMnGa | The realization of spin-glass (S-G) state in Heusler alloys is very rare
despite the presence of inherent structural and elemental disorder in those
compounds. Although a few half and full Heusler alloys are known to exhibit S-G
state, there is hardly any manifestation of the same in cases of quaternary
Heusler compoun... | 2305.03093v1 |
2002-05-07 | Slater-Pauling Behavior of the Half-Ferromagnetic Full-Heusler Alloys | Using the full-potential screened Korringa-Kohn-Rostoker method we study the
full-Heusler alloys based on Co, Fe, Rh and Ru. We show that many of these
compounds show a half-metallic behavior, however in contrast to the
half-Heusler alloys the energy gap in the minority band is extremely small.
These full-Heusler compo... | 0205129v2 |
2013-04-01 | First-principles investigation of half-metallic ferromagnetism of half-Heusler compounds XYZ | We investigate the electronic structure and magnetism of half-Heusler
compounds XYZ (X, Y=V, Cr, Mn, Fe, Co and Ni; Z=Al, Ga, In, Si, Ge, Sn, P, As,
and Sb) using the ab initio density functional theory calculations. Nine
half-metals with half-Heusler structure have been predicted with the
half-metallic gap of 0.07-0.6... | 1304.0344v2 |
2017-04-06 | A critical study of the elastic properties and stability of Heusler compounds: Phase change and tetragonal $X_{2}YZ$ compounds | In the present work, the elastic constants and derived properties of
tetragonal and cubic Heusler compounds were calculated using the high accuracy
of the full-potential linearized augmented plane wave (FPLAPW). To find the
criteria required for an accurate calculation, the consequences of increasing
the numbers of $k$... | 1704.01741v1 |
2022-08-04 | Ab-initio study of stable 3d, 4d and 5d transition metal based Quaternary Heusler compounds | The realization of the stable structure of Heusler compounds and the study of
different properties is an important step for their potential application in
spintronics and magnetoelectronic devices. In this paper, using the plane-wave
pseudopotential method within the framework of density functional theory (DFT),
we inv... | 2208.02401v2 |
2010-10-11 | Half-Heusler Topological Insulators: A First-Principle Study with the Tran-Blaha Modified Becke-Johnson Density Functional | We systematically investigate the topological band structures of half-Heusler
compounds using first-principles calculations. The modified Becke-Johnson
exchange potential together with local density approximation for the
correlation potential (MBJLDA) has been used here to obtain accurate band
inversion strength and ba... | 1010.2179v1 |
2014-01-24 | Performance Analysis of Spin Transfer Torque Random Access Memory with cross shaped free layer using Heusler Alloys by using micromagnetic studies | We investigated the performance of spin transfer torque random access memory
(STT-RAM) cell with cross shaped Heusler compound based free layer using
micromagnetic simulations. We designed the free layer using Cobalt based
Heusler compounds. Here in this paper, simulation results predict that
switching time from one st... | 1401.6971v1 |
2018-12-07 | Systematic understanding of half-metallicity of ternary compounds in Heusler and Inverse Heusler structures with 3$d$ and 4$d$ elements | Employing {\it ab initio} electronic structure calculations we extensively
study ternary Heusler compounds having the chemical formula X$_2$X$^\prime$Z,
where X = Mn, Fe or Co; Z = Al or Si; and X$^\prime$ changes along the row of
4$d$ transition metals. A comprehensive overview of these compounds, addressing
the trend... | 1812.02856v1 |
2020-03-25 | Tetragonal superstructure of the antiskyrmion hosting Heusler compound Mn1.4PtSn | Skyrmions in non-centrosymmetric magnets are vortex-like spin arrangements,
viewed as potential candidates for information storage devices. The crystal
structure and non-collinear magnetic structure together with magnetic and
spin-orbit interactions define the symmetry of the Skyrmion structure. We
outline the importan... | 2003.11344v1 |
2021-01-26 | Co$_2$FeAl full Heusler compound based spintronic terahertz emitter | To achieve a large terahertz (THz) amplitude from a spintronic THz emitter
(STE), materials with 100\% spin polarisation such as Co-based Heusler
compounds as the ferromagnetic layer are required. However, these compounds are
known to loose their half-metallicity in the ultrathin film regime, as it is
difficult to achi... | 2101.10911v1 |
2013-01-31 | A New Spin Gapless Semiconductors Family: Quaternary Heusler Compounds | Using first-principles calculations, we investigate the band structures of a
series of quaternary LiMgPdSn-type Heusler compounds. Our calculation results
show that five compounds CoFeMnSi, CoFeCrAl, CoMnCrSi, CoFeVSi and FeMnCrSb
possess unique electronic structures characterized by a half-metallic gap in
one spin dir... | 1301.7488v1 |
2016-02-18 | Observation of Unusual Topological Surface States in Half-Heusler Compounds LnPtBi (Ln=Lu, Y) | Topological quantum materials represent a new class of matter with both
exotic physical phenomena and novel application potentials. Many Heusler
compounds, which exhibit rich emergent properties such as unusual magnetism,
superconductivity and heavy fermion behaviour, have been predicted to host
non-trivial topological... | 1602.05633v2 |
2020-01-06 | Giant anomalous Hall and Nernst effect in magnetic cubic Heusler compounds | The interplay of magnetism and topology opens up the possibility for exotic
linear response effects, such as the anomalous Hall effect and the anomalous
Nernst effect, which can be strongly enhanced by designing a strong Berry
curvature in the electronic structure. It is even possible to utilize this to
create a quantu... | 2001.01698v3 |
2017-10-03 | Search for Thermoelectrics with High Figure of Merit in half-Heusler compounds with multinary substitution | In order to improve the thermoelectric performance of TiCoSb we have
substituted 50% of Ti equally with Zr and Hf at Ti site and Sb with Sn and Se
equally at Sb site. The electronic structure of Ti0.5Zr0.25Hf0.25CoSn0.5Se0.5
is investigated using the full potential linearized augmented plane wave method
and the thermoe... | 1710.01012v1 |
2021-02-03 | First principles design of Ohmic spin diodes based on quaternary Heusler compounds | The Ohmic spin diode (OSD) is a recent concept in spintronics, which is based
on half-metallic magnets (HMMs) and spin-gapless semiconductors (SGSs).
Quaternary Heusler compounds offer a unique platform to realize the OSD for
room temperature applications as these materials possess very high Curie
temperatures as well ... | 2102.01919v1 |
2021-10-20 | Anomalous Hall effect from gapped nodal line in Co2FeGe Heusler compound | Full Heusler compounds with Cobalt as a primary element show anomalous
transport properties owing to the Weyl fermions and broken time-reversal
symmetry. We present here the study of anomalous Hall effect (AHE) in Co2FeGe
Heusler compound. The experiment reveals anomalous Hall conductivity (AHC) 100
S/cm at room temper... | 2110.10677v1 |
2012-10-19 | Search for spin gapless semiconductors: The case of inverse Heusler compounds | We employ ab-initio electronic structure calculations to search for spin
gapless semiconductors, a recently identified new class of materials, among the
inverse Heusler compounds. The occurrence of this property is not accompanied
by a general rule and results are materials specific. The six compounds
identified show s... | 1210.5355v1 |
2013-09-25 | Half metallic state and magnetic properties versus the lattice constant in Ti\raisebox{-.2ex}{\scriptsize 2}CoSn Heusler compound: an ab initio study | The half metallic properties of Ti\raisebox{-.2ex}{\scriptsize 2}CoSn
full-Heusler compound is studied within the framework of the density functional
theory with the Perdew Burke Ernzerhof generalized gradient approximation
(GGA). Structural optimization was performed and the calculated equilibrium
lattice constant is ... | 1309.6437v1 |
2013-01-09 | New iron-based Heusler compounds Fe2YZ: Comparison with theoretical predictions of the crystal structure and magnetic properties | The present work reports on the new soft ferromagnetic Heusler phases
Fe2NiGe, Fe2CuGa, and Fe2CuAl, which in previous theoretical studies have been
predicted to exist in a tetragonal regular Heusler structure. Together with the
known phases Fe2CoGe and Fe2NiGa these materials have been synthesized and
characterized by... | 1301.1988v1 |
2014-10-26 | Half-Heusler topological insulators | Ternary semiconducting or metallic half-Heusler compounds with an atomic
composition 1:1:1 are widely studied for their flexible electronic properties
and functionalities. Recently, a new material property of half-Heusler
compounds was predicted based on electronic structure calculations: the
topological insulator. In ... | 1410.7011v1 |
2015-11-30 | Band structure and transport studies of half Heusler compound DyPdBi: An efficient thermoelectric material | The discovery of Heusler alloys has revolutionized the research field of
intermetallics due to the ease with which one can derive potential candidates
for multifunctional applications. During recent years, many half Heusler alloys
have been investigated for their thermoelectric properties. The f electron
based rare ear... | 1511.09187v1 |
2015-11-15 | Observation of a topologically non-trivial surface state in half-Heusler PtLuSb (001) thin films | The discovery of topological insulators (TIs), materials with bulk band gaps
and protected cross-gap surface states, in compounds such as Bi2Se3 has
generated much interest in identifying topological surface states (TSSs) in
other classes of materials. In particular, recent theory calculations suggest
that TSSs may be ... | 1511.04778v3 |
2006-11-07 | Calculated electronic and magnetic properties of the half-metallic, transition metal based Heusler compounds | In this work, results of {\it ab-initio} band structure calculations for
$A_2BC$ Heusler compounds that have $A$ and $B$ sites occupied by transition
metals and $C$ by a main group element are presented. This class of materials
includes some interesting half-metallic and ferromagnetic properties. The
calculations have ... | 0611179v1 |
2016-04-18 | Itinerant G-type antiferromagnetism in D0$_3$-type V$_3$Z (Z=Al, Ga, In) compounds: A first-principles study | Heusler compounds are widely studied due to their variety of magnetic
properties making them ideal candidates for spintronic and magnetoelectronic
applications. V$_3$Al in its metastable D0$_3$-type Heusler structure is a
prototype for a rare antiferromagnetic gapless behavior. We provide an
extensive study on the elec... | 1604.05137v1 |
2020-08-31 | Giant magnetocaloric effect driven by first-order magneto-structural transition in cosubstituted Ni-Mn-Sb Heusler compounds: predictions from \textit{Ab initio} and Monte Carlo calculations | Using Density Functional Theory and a thermodynamic model [Physical Review B
86, 134418 (2012)], in this paper, we provide an approach to systematically
screen compounds of a given Heusler family to predict ones that can yield giant
magnetocaloric effect driven by a first-order magneto-structural transition. We
apply t... | 2008.13479v1 |
2018-12-11 | Half-metallicity in quaternary Heusler alloys with 3$d$ and 4$d$ elements: observations and insights from DFT calculations | In this work, we provide important insights into the evolution of
half-metallicity in quaternary Heusler alloys. Employing {\it ab initio}
electronic structure methods we study 18 quaternary Heusler compounds having
the chemical formula CoX$^\prime$Y$^\prime$Al, where Y$^\prime$ = Mn, Fe; and
X$^\prime$ a 4$d$ element.... | 1812.04477v1 |
2017-04-06 | A critical study of the elastic properties and stability of Heusler compounds: Cubic Co$_{2}YZ$ compounds with $L2_{1}$ structure | Elastic constants and their derived properties of various cubic Heusler
compounds were calculated using first-principles density functional theory. To
begin with, Cu$_2$MnAl is used as a case study to explain the interpretation of
the basic quantities and compare them with experiments. The main part of the
work focuses... | 1704.01752v1 |
2002-04-03 | Surface Properties of the Half- and Full-Heusler Alloys | Using a full-potential \textit{ab-initio} technique I study the electronic
and magnetic properties of the (001) surfaces of the half-Heusler alloys,
NiMnSb, CoMnSb and PtMnSb and of the full-Heusler alloys Co$_2$MnGe, Co$_2$MnSi
and Co$_2$CrAl. The MnSb terminated surfaces of the half-Heusler compounds
present properti... | 0204083v1 |
2005-06-29 | Anomalous vibrational effects in non-magnetic and magnetic Heusler alloys | First-principles calculations are used in order to investigate phonon
anomalies in non-magnetic and magnetic Heusler alloys. Phonon dispersions for
several systems in their cubic L2$\mathrm{_1}$ structure were obtained along
the [110] direction. We consider compounds which exhibit phonon instabilities
and compare them ... | 0506774v1 |
2007-02-19 | Defects-driven appearance of half-metallic ferrimagnetism in Co-Mn--based Heusler alloys | Half-metallic ferromagnetic full-Heusler alloys containing Co and Mn, having
the formula Co$_2$MnZ where Z a sp element, are among the most studied Heusler
alloys due to their stable ferromagnetism and the high Curie temperatures which
they present. Using state-of-the-art electronic structure calculations we show
that ... | 0702437v1 |
2008-01-15 | Fundamentals of half-metallic Full-Heusler alloys | Intermetallic Heusler alloys are amongst the most attractive half-metallic
systems due to the high Curie temperatures and the structural similarity to the
binary semiconductors. In this review we present an overview of the basic
electronic and magnetic properties of the half-metallic full-Heusler alloys
like Co$_2$MnGe... | 0801.2252v1 |
2012-10-22 | Generalized Slater-Pauling rule for the inverse Heusler compounds | We present extensive first-principles calculations on the inverse
full-Heusler compounds having the chemical formula X$_2$YZ where (X = Sc, Ti,
V, Cr or Mn), (Z = Al, Si or As) and the Y ranges from Ti to Zn. Several of
these alloys are identified to be half-metallic magnets. We show that the
appearance of half-metalli... | 1210.5816v1 |
2018-08-14 | Screening potential topological insulators in half-Heusler compounds via compressed-sensing | Ternary half-Heusler compounds with widely tunable electronic structures,
present a new platform to discover topological insulators. Due to
time-consuming computations and synthesis procedures, the identification of new
topological insulators is however a rough task. Here, we adopt a
compressed-sensing approach to rapi... | 1808.04748v5 |
2022-10-24 | Ab-initio calculation of the Hubbard $U$ and Hund exchange $J$ in local moment magnets: The case of Mn-based full Heusler compounds | Mn-based full Heusler compounds possess well-defined local atomic Mn moments,
and thus the correlation effects between localized d electrons are expected to
play an important role in determining the electronic and magnetic properties of
these materials. Employing ab-initio calculations in conjunction with the
constrain... | 2210.13061v1 |
2006-10-17 | Surface and bulk properties of the Heusler compound Co2Cr0.6Fe0.4Al: a Moessbauer study | To explore its structural and magnetic properties, the Heusler compound
Co2Cr0.6Fe0.4Al was investigated using Moessbauer spectroscopy. The results of
both transmission and conversion electron Moessbauer spectroscopy (CEMS) are
analyzed to obtain insight into both the disorder effects as well as the
differences between... | 0610480v1 |
2009-04-27 | Exchange stiffness in Co$_{2}$-based Heusler compounds | We determine the spin wave exchange stiffness $D$ and the exchange constant
$A$ for the full Heusler compound \CFS using Brillouin light scattering
spectroscopy. We find an extraordinarily large value of $D=715\pm20$ meV
\AA$^2$ ($A=31.5\pm1.0$ pJ/m) which is, to the best of our knowledge, only
surpassed by the interme... | 0904.4194v1 |
2010-04-07 | Single-Dirac-cone Z2 topological insulator phases in distorted Li2AgSb-class and related quantum critical Li-based spin-orbit compounds | We have extended our new materials class search for the experimental
realization of Z2 topological insulators from binary [Bi2Se3-class, Xia et.al.,
Nature Phys. 5, 398 (2009)] and the ternary [Half-Heusler class, Lin et.al.,
arXiv:1003.0155v1 (2010); arXiv:1003.2615v1 (2010)] series to non-Heusler
Li-based ternary int... | 1004.0999v1 |
2013-09-24 | Electronic structure and magnetism of new scandium-based full Heusler compounds: Sc2CoZ (Z=Si, Ge, Sn) | First principles FPLAPWcalculations were performed in the framework of
Density Functional Theory (DFT), to study the electronic structures and
magnetic properties for the new full-Heusler compounds: Sc2CoZ (Z=Si, Ge, Sn).
The investigated materials are stable against decomposition, in ferromagnetic
configuration and cr... | 1309.6256v3 |
2015-02-06 | Long-term stability of phase-separated Half-Heusler compounds | Half-Heusler (HH) compounds have shown high Figure of merits up to 1.5. The
key to these high thermoelectric efficiencies is an intrinsic phase separation,
which occurs in multicomponent Half-Heusler compounds and leads to an
significantly reduction of the thermal conductivity. For commercial
applications, compatible n... | 1502.01828v1 |
2018-01-31 | Unconventional superconductivity and Surface pairing symmetry in Half-Heusler Compounds | Signatures of nodal line/point superconductivity have been observed in
half-Heusler compounds, such as LnPtBi (Ln = Y, Lu). Topologically non-trivial
band structures, as well as topological surface states, has also been confirmed
by angular-resolved photoemission spectroscopy in these compounds. In this
work, we presen... | 1801.10286v1 |
2012-05-02 | Superconductivity in the Heusler Family of Intermetallics | Several physical properties of the superconducting Heusler compounds,
focusing on two systems (Y, Lu, Sc)Pd2Sn and APd2M, where A=Hf, Zr and M=Al,
In, are summarized and compared. The analysis of the data shows the importance
of the electron-phonon coupling for superconductivity in this family. We report
the supercondu... | 1205.0433v1 |
2013-02-04 | Disorder-induced cubic phase in Fe$_2$-based Heusler alloys | Based on first-principles electronic structure calculations, we analyze the
chemical and magnetic mechanisms stabilizing the cubic phase in Fe$_2$-based
Heusler materials, which were previously predicted to be tetragonal when being
chemically ordered. In agreement with recent experimental data, we found that
these comp... | 1302.0713v1 |
2018-02-20 | Ultrafast magnetization dynamics in pure and doped Heusler and inverse Heusler alloys | By using a multiscale approach based on first-principles density functional
theory combined with atomistic spin dynamics, we investigate the electronic
structure and magnetization dynamics of an inverse Heusler and a Heusler
compound and their alloys, i. e. Mn$_{2-x}Z_x$CoAl and Mn$_{2-x}Z_x$VAl, where
$Z$ = Mo, W, Os ... | 1802.07195v1 |
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