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2017-02-27 | Large magnetocrystalline anisotropy in tetragonally distorted Heuslers: a systematic study | With a view to the design of hard magnets without rare earths we explore the
possibility of large magnetocrystalline anisotropy energies in Heusler
compounds that are unstable with respect to a tetragonal distortion. We
consider the Heusler compounds Fe$_2$YZ with Y = (Ni, Co, Pt), and Co$_2$YZ
with Y = (Ni, Fe, Pt) wh... | 1702.08150v1 |
2020-11-16 | A high throughput search of efficient thermoelectric half-Heusler compounds | Half-Heusler compounds have emerged as promising thermoelectric materials
that offer huge compositional space to tune their thermoelectric performance. A
class of stable half Heusler compounds formed from elements of three specific
groups in the periodic table viz.
X$_{p}$X$'_{1-p}$Y$_{q}$Y$'_{1-q}$Z$_{r}$Z$'_{1-r}$ (w... | 2011.08134v1 |
2013-12-10 | Electronic structure of Zr-Ni-Sn systems: role of clustering and nanostructures in Half-Heusler and Heusler limits | Half-Heusler and Heusler compounds have been of great interest for several
decades for thermoelectric, magnetic, half-metallic and many other interesting
properties. Among these systems, Zr-Ni-Sn compounds are interesting
thermoelectrics which can go from semiconducting half-Heusler (HH) limit,
ZrNiSn, to metallic Heus... | 1312.2985v2 |
2022-05-05 | Electronic band structure screening for Dirac points in Heuslers | The Heusler compounds have provided a playground of material candidates for
various technological applications based on their highly diverse and tunable
properties, controlled by chemical composition and crystal structure. However,
physical exploration of the Heusler chemical space en masse is impossible in
practice, h... | 2205.02547v1 |
2019-07-31 | Perspective: Heusler interfaces -- opportunities beyond spintronics? | Heusler compounds, in both cubic and hexagonal polymorphs, exhibit a
remarkable range of electronic, magnetic, elastic, and topological properties,
rivaling that of the transition metal oxides. To date, research on these
quantum materials has focused primarily on bulk magnetic and thermoelectric
properties or on applic... | 1908.00101v1 |
2005-05-25 | Semimetalic antiferromagnetism in the half-Heusler compound CuMnSb | The half-Heusler compound CuMnSb, the first antiferromagnet (AFM) in the
Mn-based class of Heuslers and half-Heuslers that contains several conventional
and half metallic ferromagnets, shows a peculiar stability of its magnetic
order in high magnetic fields. Density functional based studies reveal an
unusual nature of ... | 0505624v1 |
2008-08-18 | A Ni-based Superconductor: the Heusler Compound ZrNi$_2$Ga | This work reports on the novel Heusler superconductor ZrNi2Ga. Compared to
other nickel-based superconductors with Heusler structure, ZrNi2Ga exhibits a
relatively high superconducting transition temperature of Tc=2.9 K and an upper
critical field of 1.5 T. Electronic structure calculations show that this
relatively hi... | 0808.2356v1 |
2013-01-23 | Data Storage: Review of Heusler Compounds | In the recent decade, the family of Heusler compounds has attracted
tremendous scientific and technological interest in the field of spintronics.
This is essentially due to their exceptional magnetic properties, which qualify
them as promising functional materials in various data-storage devices, such as
giant-magnetor... | 1301.5455v2 |
2014-12-01 | Quality of Heusler Single Crystals Examined by Depth Dependent Positron Annihilation Techniques | Heusler compounds exhibit a wide range of different electronic ground states
and are hence expected to be applicable as functional materials in novel
electronic and spintronic devices. Since the growth of large and defect-free
Heusler crystals is still challenging, single crystals of Fe2TiSn and Cu2MnAl
were grown by t... | 1412.0435v1 |
2015-02-11 | High thermoelectric figure of merit in p-type Half-Heuslers by intrinsic phase separation | Improvements in the thermoelectric properties of Half-Heusler materials have
been achieved by means of a micrometer-scale phase separation that increases
the phonon scattering and reduces the lattice thermal conductivity. A detailed
study of the p-type Half-Heusler compounds Ti(1-x)Hf(x)CoSb0.85Sn0.15 using
high-resolu... | 1502.03336v1 |
2018-05-07 | Electronic, Elastic and X-ray spectroscopic properties of direct and inverse full Heusler compounds: DFT+U study | Half-metallicity, low magnetic damping and high curie temperature (TC) are
crucial for application in spintronics and full Heusler alloys in this regard
exhibit remarkable properties. Herein, we have considered Co2FeAl (CFA) and
Fe2CoAl (FCA) as a representative of direct and indirect full Heusler compounds
which cryst... | 1805.02618v1 |
2019-01-27 | Correlation effects on ground-state properties of ternary Heusler alloys: first-principles study | The strongly constrained and appropriately normed (SCAN) semi-local
functional for exchange-correlation is deployed to study the ground-state
properties of ternary Heusler alloys transforming martensitically. The
calculations are performed for ferromagnetic, ferrimagnetic, and
antiferromagnetic phases. Comparisons betw... | 1901.09460v1 |
2016-03-17 | Ultrafast Local Magnetization and Demagnetization in Heusler Alloys | With the goal of pushing Spintronic devices towards faster and faster
timescales, we demonstrate, using ab-intio time-dependent density functional
theory simulations of bulk Heusler compounds subject to ultrashort intense
laser pulses, that the local magnetic moment can increase or decrease in a few
femtoseconds. This ... | 1603.05603v1 |
2021-06-02 | MgPd$_2$Sb -- the first Mg-based Heusler-type superconductor | We report the synthesis and physical properties of a full Heusler compound,
MgPd$_2$Sb, which we found to show superconductivity below $T_c$ = 2.2 K.
MgPd$_2$Sb was obtained by a two-step solid-state reaction method and its
purity and cubic crystal structure (Fm-3m, a=6.4523(1) \r{A}) were confirmed by
powder x-ray dif... | 2106.01133v2 |
2021-08-11 | DFT and Monte Carlo simulations of the equiatomic quaternary Heusler Alloy CoFeCrP | In this work, we study the equiatomic quaternary Heusler Alloy CoFeCrP using
two methods: DFT and Monte Carlo simulations. The DFT method allowed us to
illustrate the structural, electronic and magnetic properties of this alloy.
The ground state phase diagrams have been presented to show the stable
configurations in di... | 2108.05160v1 |
2020-01-20 | Ab initio design of quaternary Heusler compounds for reconfigurable magnetic tunnel diodes and transistors | Reconfigurable magnetic tunnel diodes and transistors are a new concept in
spintronics. The realization of such a device requires the use of materials
with unique spin-dependent electronic properties such as half-metallic magnets
(HMMs) and spin-gapless semiconductors (SGSs). Quaternary Heusler compounds
offer a unique... | 2001.07029v1 |
2018-10-11 | Unconventional transport behavior in the Quaternary Heusler compounds CoFeTiSn and CoFeVGa | We report here the electrical transport and magnetic properties of the newly
synthesized quaternary Heusler compound CoFeTiSn and CoFeVGa. We observe a
striking change in the electronic transport properties of CoFeTiSn as the
system undergoes the paramagnetic to ferromagnetic transition. While the sample
shows an activ... | 1810.04865v1 |
2020-08-11 | Anomalous Hall effect in half-metallic Heusler compound Co$_{2}$Ti$X$ ($X$=Si, Ge) | Though Weyl fermions have recently been observed in several materials with
broken inversion symmetry, there are very few examples of such systems with
broken time reversal symmetry. Various Co$_{2}$-based half-metallic
ferromagnetic Heusler compounds are lately predicted to host Weyl type
excitations in their band stru... | 2008.04837v1 |
2020-11-12 | Anomalous Hall effect and negative longitudinal magnetoresistance in half-Heusler topological semimetal candidates TbPtBi and HoPtBi | Half-Heusler compounds have attracted significant attention because of their
topologically non-trivial electronic structure, which leads to unusual electron
transport properties. We thoroughly investigated the magnetotransport
properties of high-quality single crystals of two half-Heusler phases, TbPtBi
and HoPtBi, in ... | 2011.06290v1 |
2022-01-08 | Atomic disorder and Berry phase driven anomalous Hall effect in Co2FeAl Heusler compound | Co2-based Heusler compounds are the promising materials for the spintronics
application due to their high Curie temperature, large spin-polarization, large
magnetization density, and exotic transport properties. In the present
manuscript, we report the anomalous Hall effect (AHE) in a polycrystalline
Co2FeAl Heusler co... | 2201.02864v1 |
2018-01-11 | Structural, elastic, electronic, magnetic and thermoelectric properties of new quaternary Heusler compounds CoZrMnX (X=Al, Ga, Ge, In) | We have performed a comprehensive set of first principles calculations to
study the structural, elastic, electronic, magnetic and transport properties of
new quaternary Heusler compounds CoZrMnX (X =Al, Ga, Ge, In). The results
showed that all the quaternary Heusler compounds were stable in Type(I)
structure. CoZrMnX a... | 1801.03719v1 |
2023-09-14 | Chemical-substitution-driven giant anomalous Hall and Nernst effects in magnetic cubic Heusler compounds | Chemical substitution efficiently optimizes the physical properties of
Heusler compounds, especially their anomalous transport properties, including
anomalous Hall conductivity (AHC) and anomalous Nernst conductivity (ANC). This
study systematically investigates the effect of chemical substitution on AHC
and ANC in 149... | 2309.07722v3 |
2016-10-07 | Computational Investigation of Half-Heusler Compounds for Spintronics Applications | We present first-principles density functional calculations of the electronic
structure, magnetism, and structural stability of 378 $\textit{XYZ}$
half-Heusler compounds (with $X=$ Cr, Mn, Fe, Co, Ni, Ru, Rh, $Y=$ Ti, V, Cr,
Mn, Fe, Ni, $Z=$ Al, Ga, In, Si, Ge, Sn, P, As, Sb). We find that a
"Slater-Pauling density of ... | 1610.02444v2 |
2006-05-29 | Epitaxy of thin films of the Heusler compound Co2Cr0.6Fe0.4Al | Epitaxial thin films of the highly spin polarized Heusler compound
Co2Cr0.6Fe0.4Al are deposited by dc magnetron sputtering. It is shown by XRD
and TEM investigations how the use of an Fe buffer layer on MgO(100) substrates
supports the growth of highly ordered Co2Cr0.6Fe0.4Al at low deposition
temperatures. The as gro... | 0605698v2 |
2006-09-02 | A new diluted magnetic semiconductor: The half-metallic ferromagnet CoTi(1-x)FexSb | Half-Heusler compounds with 18 valence electrons are semi-conducting. It will
be shown that doping with electrons results in half-metallic ferromagnets,
similar to the case of diluted semi-conductors. CoTiSb is known to be a
semi-conducting Half-Heusler compound. Doping by Fe is expected to result in
ferromagnetic orde... | 0609042v1 |
2011-10-13 | Berry-curvatures and anomalous Hall effect in Heusler compounds | Berry curvatures are computed for a set of Heusler compounds using density
functional (DF) calculations and the wave functions that DF provide. The
anomalous Hall conductivity is obtained from the Berry curvatures. It is
compared with experimental values in the case of Co$_2$CrAl and Co$_2$MnAl. A
notable trend cannot ... | 1110.2878v1 |
2013-09-25 | Prediction of half metallic properties in Ti\raisebox{-.2ex}{\scriptsize 2}CoSi Heusler alloy based on density functional theory | The electronic and magnetic properties of Ti\raisebox{-.2ex}{\scriptsize
2}CoSi Heusler compound are investigated using density functional calculations.
The optimized lattice constant is found to be 6.030 A. The compound is a
half-metallic ferromagnet with an energy gap in minority spin channel of 0.652
eV at equilibri... | 1309.6427v1 |
2013-12-20 | Multiple phases in sputtered Cr2CoGa films | By magnetron co-sputtering, thin films of a nominal Cr2CoGa compound were
deposited on MgO and MgAl2O4. To achieve crystallisation in the inverse Heusler
structure, different heat treatments were tested. Instead of the inverse
Heusler structure, we observed phase separation and precipitate formation in
dependence on th... | 1312.6014v2 |
2014-11-26 | Theoretical investigations of electronic structure and magnetism in Zr2CoSn full-Heusler compound | The half-metallic properties of a new and promising full-Heusler compound,
Zr2CoSn, are investigated by means of ab initio calculations within the Density
Functional Theory framework. The ferromagnetic ordered Hg2CuTi-type crystal
structure is energetically favorable and the optimized lattice parameter is
6.76 A. The t... | 1411.7154v1 |
2018-04-01 | First-principles study on thermoelectric properties of half-Heusler compounds CoMSb(M=Sc, Ti, V, Cr, and Mn) | We have performed systematic density functional calculations and evaluated
thermoelectric properties, See- beck coefficient and anomalous Nernst
coefficient of half-Heusler comounds CoMSb(M=Sc, Ti, V, Cr, and Mn). The
carrier concentration dependence of Seebeck coefficients in nonmagnetic
compounds are in good agreemen... | 1804.00297v1 |
2007-10-30 | Searching for hexagonal analogues of the half-metallic half-Heusler XYZ compounds | The XYZ half-Heusler crystal structure can conveniently be described as a
tetrahedral zinc blende YZ structure which is stuffed by a slightly ionic X
species. This description is well suited to understand the electronic structure
of semiconducting 8-electron compounds such as LiAlSi (formulated
Li$^+$[AlSi]$^-$) or sem... | 0710.5769v1 |
2006-11-22 | Magnetism and structure of magnetic multilayers based on the fully spin polarized Heusler alloys Co2MnGe and Co2MnSn | Our Introduction starts with a short general review of the magnetic and
structural properties of the Heusler compounds which are under discussion in
this book. Then, more specifically, we come to the discussion of our
experimental results on multilayers composed of the Heusler alloys Co2MnGe and
Co2MnSn with V or Au as... | 0611590v1 |
2010-02-28 | Tunable Multifunctional Topological Insulators in Ternary Heusler Compounds | Recently the Quantum Spin Hall effect (QSH) was theoretically predicted and
experimentally realized in a quantum wells based on binary semiconductor
HgTe[1-3]. QSH state and topological insulators are the new states of quantum
matter interesting both for fundamental condensed matter physics and material
science[1-11]. ... | 1003.0193v1 |
2021-06-27 | Ferromagnetic Cr4PtGa17: A Novel Half-Heusler-Type Compound with a Breathing Pyrochlore Lattice | We describe the crystal structure and elementary magnetic properties of a
previously unreported ternary intermetallic compound, Cr4PtGa17, which
crystallizes in a rhombohedral unit cell in the noncentrosymmetric space group
R3m. The crystal structure is closely related to those of XYZ half-Heusler
compounds, where X, Y... | 2106.14296v2 |
2023-01-02 | Double Half-Heusler Alloys X$_2$Ni$_2$InSb (X= Zr/Hf) with promising Thermoelectric Performance: Role of varying structural phases | Double half-heusler alloys are the new class of compounds which can be seen
as transmuted version of two single half-heusler with higher flexibility of
tuning their properties. Here, we report a detailed study of thermoelectric
(TE) properties of two double half-heusler (HH) alloys X$_2$Ni$_2$InSb
(X=Hf/Zr), using firs... | 2301.00598v1 |
2023-02-07 | Colossal anomalous Hall and Nernst effect from the breaking of nodal-line symmetry in Cu2CoSn Weyl semimetal: A first-principles study | The presence of topological band crossings near the Fermi energy is essential
for the realization of large anomalous transport properties in the materials.
The topological semimetals (TSMs) host such properties owing to their unique
topological band structure such as Weyl points or nodal lines (NLs), that is
protected ... | 2302.03279v1 |
2023-02-09 | Spin-polarized two-dimensional electron/hole gas at the interface of non-magnetic semiconducting half-Heusler compounds: Modified Slater-Pauling rule for half-metallicity at the interface | Half-Heusler compounds with 18 valence electrons per unit cell are well-known
non-magnetic semiconductors. Employing first-principles electronic band
structure calculations, we study the interface properties of the half-Heusler
heterojunctions based on FeVSb, CoTiSb, CoVSn, and NiTiSn compounds, which
belong to this ca... | 2302.04563v1 |
2023-06-07 | Searching for ductile superconducting Heusler X2YZ compounds | Heusler compounds have always attracted a great deal of attention from
researchers thanks to a wealth of interesting properties for technological
applications. They are intermetallic ductile compounds, and some of them have
been found to be superconducting. With this in mind, we perform an extensive
study of the superc... | 2306.04439v1 |
2019-10-07 | Accurate high-throughput screening of I-II-V 8-electron Half-Heusler compounds for renewable-energy applications | Renewable energy resources have emerged as the best alternatives to fossil
fuel energy which are rapidly declining with time. Here, eight valence-electron
count Half-Heusler(HH) alloys have been studied using reliable first principles
calculations in the search of potential candidates for renewable energy
applications ... | 1910.02984v1 |
2023-03-04 | Giant anomalous Hall and Nernst conductivities in magnetic all-$d$ metal Heusler alloys | All-$d$ Heuslers are a category of novel compounds combining versatile
functionalities such as caloric responses and spintronics with enhanced
mechanical properties. Despite the promising transport properties (anomalous
Hall (AHC) and anomalous Nernst (ANC) conductivities) shown in the conventional
Co$_2$XY Heuslers wi... | 2303.02351v1 |
2007-09-26 | Role of defects and disorder in the half-metallic full-Heusler compounds | Half-metallic ferromagnets and especially the full-Heusler alloys containing
Co are at the center of scientific research due to their potential applications
in spintronics. For realistic devices it is important to control accurately the
creation of defects in these alloys. We review some of our late results on the
role... | 0709.4183v2 |
2010-07-31 | Half-Heusler Compounds as a New Class of Three-Dimensional Topological Insulators | Using first-principles calculations within density functional theory, we
explore the feasibility of converting ternary half-Heusler compounds into a new
class of three-dimensional topological insulators (3DTI). We demonstrate that
the electronic structure of unstrained LaPtBi as a prototype system exhibits
distinct ban... | 1008.0057v1 |
2010-11-05 | Magnetic microstructure and magnetotransport in Co2FeAl Heusler compound thin films | We correlate simultaneously recorded magnetotransport and spatially resolved
magneto optical Kerr effect (MOKE) data in Co2FeAl Heusler compound thin films
micropatterned into Hall bars. Room temperature MOKE images reveal the
nucleation and propagation of domains in an externally applied magnetic field
and are used to... | 1011.1417v1 |
2011-07-31 | Room-temperature generation of giant pure spin currents using Co$_2$FeSi spin injectors | Generation, manipulation, and detection of a pure spin current, i.e., the
flow of spin angular momentum without a charge current, are prospective
approaches for realizing next-generation spintronic devices with ultra low
electric power consumptions. Conventional ferromagnetic electrodes such as Co
and NiFe have so far ... | 1108.0156v2 |
2011-11-03 | Estimation of the spin polarization for Heusler-compound thin films by means of nonlocal spin-valve measurements: Comparison of Co$_{2}$FeSi and Fe$_{3}$Si | We study room-temperature generation and detection of pure spin currents
using lateral spin-valve devices with Heusler-compound electrodes, Co$_{2}$FeSi
(CFS) or Fe$_{3}$Si (FS). The magnitude of the nonlocal spin-valve (NLSV)
signals is seriously affected by the dispersion of the resistivity peculiarly
observed in the... | 1111.0742v2 |
2012-10-17 | GW study of the half-metallic Heusler compounds Co2MnSi and Co2FeSi | Quasiparticle spectra of potentially half-metallic Co2MnSi and Co2FeSi
Heusler compounds have been calculated within the one-shot GW approximation in
an all-electron framework without adjustable parameters. For Co2FeSi the
many-body corrections are crucial: a pseudogap opens and good agreement of the
magnetic moment wi... | 1210.4776v1 |
2012-10-29 | Modified Becke-Johnson potential investigation of half-metallic Heusler compounds | We have investigated the electronic structures of various potentially
half-metallic Heusler compounds with the Tran-Blaha modified Becke-Johnson
(TB-mBJLDA) potential within the density functional theory. The half-metallic
gaps are considerably enhanced with respect to values from the
Perdew-Burke-Ernzerhof (PBE) funct... | 1210.7738v1 |
2013-03-03 | High spin polarization of the anomalous Hall current in Co-based Heusler compounds | Based on first principles density functional calculations of the intrinsic
anomalous and spin Hall conductivities, we predict that the charge Hall current
in Co-based full Heusler compounds Co$_2$XZ (X = Cr and Mn; Z = Al, Si, Ga, Ge,
In and Sn) except Co$_2$CrGa would be almost fully spin-polarized even although
Co$_2... | 1303.0509v1 |
2013-07-25 | Plasmon dispersions in simple metals and Heusler compounds | We present a comprehensive study of plasmon dispersions in simple metals and
Heusler compounds based on an accurate ab-initio evaluation of the momentum and
frequency dependent dielectric function in the random-phase approximation.
Using a momentum-dependent tetrahedron method for the computation of the
dielectric func... | 1307.6844v1 |
2014-08-25 | Nanograined half-Heusler semiconductors as advanced thermoelectrics: an ab-initio high-throughput statistical study | Nanostructuring has spurred a revival in the field of direct thermoelectric
energy conversion. Nanograined materials can now be synthesized with higher
figures of merit (ZT) than the bulk counterparts. This leads to increased
conversion efficiencies. Despite considerable effort in optimizing the known
and discovering t... | 1408.5859v1 |
2015-06-11 | Magnetism in tetragonal manganese-rich Heusler compounds | A comprehensive study of the total energy of manganese-rich Heusler compounds
using density functional theory is presented. Starting from a large set of
cubic parent systems, the response to tetragonal distortions is studied in
detail. We single out the systems that remain cubic from those that most likely
become tetra... | 1506.03735v1 |
2015-07-30 | First principle investigations of the structural, electronic and magnetic properties of the new zirconium based full-Heusler compounds, Zr2MnZ (Z = Al, Ga and In) | The crystal structure, electronic and magnetic properties of the new
full-Heusler compounds Zr2MnZ (Z=Al, Ga, In), were studied within the Density
Functional Theory (DFT) framework. The materials exhibit unique properties that
connect the spin gapless semiconducting character with the completely
compensated ferrimagnet... | 1507.08605v2 |
2016-01-28 | LaPtSb: a half-Heusler compound with high thermoelectric performance | The electronic and transport properties of the half-Heusler compound LaPtSb
are investigated by performing first-principles calculations combined with
semi-classical Boltzmann theory and deformation potential theory. Compared with
many typical half-Heusler compounds, the LaPtSb exhibits obviously larger power
factor at... | 1601.07690v4 |
2016-04-13 | Ultralow Thermal Conductivity in Full-Heusler Semiconductors | Semiconducting half- and, to a lesser extent, full-Heusler compounds are
promising thermoelectric materials due to their compelling electronic
properties with large power factors. However, intrinsically high thermal
conductivity resulting in a limited thermoelectric efficiency has so far
impeded their widespread use in... | 1604.03827v2 |
2020-06-09 | Detection of antiskyrmions by topological Hall effect in Heusler compounds | Heusler compounds having $\textit{D}$${}_{2d}$ crystal symmetry gained much
attention recently due to the stabilization of a vortex-like spin texture
called antiskyrmions in thin lamellae of Mn${}_{1.4}$Pt${}_{0.9}$Pd${}_{0.1}$Sn
as reported in the work of Nayak $\textit{et al.}$ [Nature (London) 548, 561
(2017)]. Here... | 2006.05190v1 |
2022-07-15 | Band splitting induced Berry flux and intrinsic anomalous Hall conductivity in NiCoMnGa quaternary Heusler compound | The anomalous transport properties of Heusler compounds become a hotspot of
research in recent years due to their unique band structure and possible
application in spintronics. In this paper, we report the anomalous Hall effect
in polycrystalline NiCoMnGa quaternary Heusler compound by experimental means
and theoretica... | 2207.07313v1 |
2022-08-31 | Unusual kinetic properties of usual Heusler alloys | The review considers various groups of Heusler compounds, which can have the
properties of a semiconductor, a half-metallic ferromagnet, a spin gapless
semiconductor, a topological semimetal, and a noncollinear antiferromagnet. In
these Heusler compounds, "conventional" from the point of view of the crystal
structure, ... | 2208.14868v1 |
2024-03-01 | Spin-gapped metals: A novel class of materials -- the case of semi-Heusler compounds | Gapped metals, a recently discovered new class of materials, possess a band
gap slightly above or below the Fermi level. These materials are intrinsic p-
or n-type semiconductors eliminating the need for extrinsic doping. Inspired by
this concept, we propose the so-called "spin-gapped metals" exhibiting
intrinsic p- or... | 2403.00936v1 |
2019-12-17 | Type-II Dirac states in full Heusler compounds XInPd2 (X = Ti, Zr and Hf) | We predict three full Heusler compounds XInPd2 (X = Zr, Hf and Ti) to be
potential candidates for type-II Dirac semimetals. The crystal symmetry of
these compounds have appropriate chemical environment with a unique interplay
of inversion, time reversal and mirror symmetry. These symmetries help to give
six pairs of ty... | 1912.07807v1 |
2018-07-12 | Synthesis and structural characterization of Sb-doped TiFe2Sn Heusler compounds | Heusler compounds form a numerous class of intermetallics, which include two
families of compositions ABC and AB2C, usually referred to as half- and
full-Heusler compounds, respectively. Given their tunable electronic
properties, made possible by adjusting the chemical composition, these
materials are currently conside... | 1807.04545v2 |
2005-07-28 | Exchange interactions and temperature dependence of the magnetization in half--metallic Heusler alloys | We study the exchange interactions in half-metallic Heusler alloys using
first-principles calculations in conjunction with the frozen-magnon
approximation. The Curie temperature is estimated within both mean-field (MF)
and random-phase-approximation (RPA) approaches. For the half-Heusler alloys
NiMnSb and CoMnSb the do... | 0507697v2 |
2006-03-24 | Structural and magneto-transport characterization of Co_2Cr_xFe_(1-x)Al Heusler alloy films | We investigate the structure and magneto-transport properties of thin films
of the Co_2Cr_xFe_(1-x)Al full-Heusler compound, which is predicted to be a
half-metal by first-principles theoretical calculations. Thin films are
deposited by magnetron sputtering at room temperature on various substrates in
order to tune the... | 0603649v1 |
2010-03-10 | Evidence for triplet superconductivity in Josephson junctions with ferromagnetic Cu$_{2}$MnAl-Heusler barriers | We have studied Josephson junctions with barriers prepared from the Heusler
compound Cu$_2$MnAl. In the as-prepared state the Cu$_2$MnAl layers are non
ferromagnetic and the critical Josephson current density $j_{c}$ decreases
exponentially with the thickness of the Heusler layers $d_{F}$. On annealing
the junctions at... | 1003.2082v1 |
2014-05-06 | Theoretical search for half-Heusler topological insulators | We have performed ab-initio band structure calculations on more than two
thousand half-Heusler compounds in order to search for new candidates for
topological insulators. Herein, LiAuS and NaAuS are found to be the strongest
topological insulators with the bulk band gap of 0.20 and 0.19 eV,
respectively, different from... | 1405.1305v1 |
2015-06-04 | Low-moment ferrimagnetic phase of the Heusler compound Cr2CoAl | Synthesizing half-metallic fully-compensated ferrimagnets that form in the
inverse Heusler phase could lead to superior spintronic devices. These
materials would have high spin polarization at room temperature with very
little fringing magnetic fields. Previous theoretical studies indicated that
Cr2CoAl should form in ... | 1506.01738v1 |
2023-06-26 | Origin of magnetic ordering in half-Heusler RuMnGa | The half-Heusler alloy RuMnGa having valence electron count (VEC) 18 has
recently been theoretically proposed to exhibit compensated ferrimagnetic
(CFiM) character instead of the expected nonmagnetic ground state. On the other
hand, a preliminary experimental study proposed ferromagnetic (FM) ordering. As
no half-Heusl... | 2306.14836v1 |
2015-04-07 | Thermal Expansion of Ni-Ti-Sn Heusler and Half-Heusler Materials from First Principles Calculations and Experiments | We coupled first principles calculations and the quasiharmonic approximation
combined with experiments (X-Ray diffraction and dilatometry measurements) to
determine the thermal properties of NiTiSn (half-Heusler) and Ni2TiSn (Heusler)
compounds. These properties are important especially if they are to be used in
thermo... | 1504.01606v1 |
2015-05-14 | First-principles calculations of exchange interactions, spin waves, and temperature dependence of magnetization in inverse-Heusler-based spin gapless semiconductors | Employing first principles electronic structure calculations in conjunction
with the frozen-magnon method we calculate exchange interactions, spin-wave
dispersion, and spin-wave stiffness constants in inverse-Heusler-based spin
gapless semiconductor (SGS) compounds Mn$_2$CoAl, Ti$_2$MnAl, Cr$_2$ZnSi,
Ti$_2$CoSi and Ti$... | 1505.03632v1 |
2016-04-06 | Anomalous Hall effect in Weyl semimetal half Heusler compounds RPtBi (R = Gd and Nd) | Topological materials ranging from topological insulators to Weyl and Dirac
semimetals form one of the most exciting current fields in condensed-matter
research. Many half-Heusler compounds, RPtBi (R= rare earth) have been
theoretically predicted to be topological semimetals. Among various topological
attributes envisa... | 1604.01641v2 |
2018-03-01 | Observation of Dirac state in half-Heusler material YPtBi | The prediction of non-trivial topological electronic states hosted by
half-Heusler compounds makes them prime candidates for discovering new physics
and devices as they harbor a variety of electronic ground states including
superconductivity, magnetism, and heavy fermion behavior. Here we report normal
state electronic... | 1803.00589v1 |
2023-05-04 | 4d-element induced improvement of structural disorder and development of weakly re-entrant spin-glass behaviour in NiRuMnSn | The pursuit of efficient spin-polarization in quaternary Heusler alloys with
the general formula $XX'YZ$ (where X, $X'$, and Y are transition metals and Z
is a p-block element), has been a subject of significant scientific interest.
While previous studies shows that isoelectronic substitution of 4d element in
place of ... | 2305.03087v1 |
2017-12-06 | Computational Investigation of Inverse-Heusler compounds for Spintronics Applications | First-principles calculations of the electronic structure, magnetism and
structural stability of inverse-Heusler compounds with the chemical formula
\textit{X$_2$YZ} are presented and discussed with a goal of identifying
compounds of interest for spintronics. Compounds for which the number of
electrons per atom for \te... | 1712.02278v1 |
2014-06-13 | Investigation of the electronic and thermoelectric properties of Fe2 ScX (X = P, As and Sb) full Heusler alloys by using first principles calculations | By using ab initio electronic structure calculations here we report the three
new full Heusler alloys which are possessing very good thermoelectric behavior
and expected to be synthesized in the laboratories. These are Fe2 ScP, Fe2 ScAs
and Fe2 ScSb compound. First two compounds are indirect band gap semiconductors
and... | 1406.3425v1 |
2022-04-28 | Observation of Griffiths-like phase in the quaternary Heusler compound NiFeTiSn | The quaternary Heusler compound NiFeTiSn can be considered to be derived from
the exotic pseudogap-compound Fe2TiSn by the replacement of one Fe atom by Ni.
In contrast to Fe2TiSn, which shows a disorder-induced ferromagnetic phase, the
ground state of NiFeTiSn is antiferromagnetic with the signature of spin
canting. I... | 2204.13462v1 |
2006-01-30 | Correlation in the transition metal based Heusler compounds Co$_2$MnSi and Co$_2$FeSi | Half-metallic ferromagnets like the full Heusler compounds with formula
X$_2$YZ are supposed to show an integer value of the spin magnetic moment.
Calculations reveal in certain cases of X = Co based compounds non-integer
values, in contrast to experiments. In order to explain deviations of the
magnetic moment calculat... | 0601671v1 |
2005-05-11 | Above-room-temperature ferromagnetism in half-metallic Heusler compounds NiCrP, NiCrSe, NiCrTe and NiVAs: A first-principles study | We study the interatomic exchange interactions and Curie temperatures in
half-metallic semi Heusler compounds NiCrZ (Z=P, Se, Te) and NiVAs. The study
is performed within the framework of density functional theory. The calculation
of exchange parameters is based on the frozen-magnon approach. It is shown that
the excha... | 0505299v1 |
2006-07-25 | Doping and disorder in the Co$_2$MnAl and Co$_2$MnGa half-metallic Heusler alloys | We expand our study on the full-Heusler compounds [I. Galanakis \textit{et
al.}, Appl. Phys. Lett. \textbf{89}, 042502 (2006)] to cover also the case of
doping and disorder in the case of Co$_2$MnAl and Co$_2$MnGa half-metallic
Heusler alloys. These alloys present a region of very small minority density of
states inste... | 0607652v1 |
2011-10-25 | Half-metallic properties for the Ti2YZ (Y=Fe,Co,Ni,Z=Al,Ga,In) Hesuler alloys: A first-principles study | Using the full-potential local orbital minimum-basis method,the Ti2-based
full-Heusler alloys are studied. The results show that these compounds exhibit
a half-metallic behavior, however, in contrast to the conventional full-Heusler
alloys,the full-Heusler alloys show a Slater-Pauling behavior and the total
spin magnet... | 1110.5411v1 |
2013-04-16 | Kinetic arrest related to a first-order ferrimagnetic to antiferromagnetic transition in the Heusler compound Mn2PtGa | We report a magnetization study of the Heusler compound Mn2PtGa that shows
the existence of a magnetic-glass state. Mn2PtGa shows a first-order
ferromagnetic (FM)/ferrimagnetic (FI) to antiferromagnetic (AFM) transition in
contrast to the martensitic structural transition observed in several Heusler
alloys. The kinetic... | 1304.4459v1 |
2013-10-17 | A new class of topological insulators from I-III-IV half-Heusler compounds with strong band inversion strength | In this paper, by first principle calculations, we investigate systematically
the band topology of a new half-Heusler family with composition of
I(A)-III(A)-IV(A). The results clearly show that many of the I-III-IV
half-Heusler compounds are in fact promising to be topological insulator
candidates. The characteristic f... | 1310.4696v1 |
2015-11-10 | Large low-field positive magnetoresistance in nonmagnetic half-Heusler ScPtBi single crystal | High-quality nonmagnetic half-Heusler ScPtBi single crystals were synthesized
by a Bi self-flux method. This compound was revealed to be a hole-dominated
semimetal with a large low-field magnetoresistance up to 240% at 2K in a
magnetic field of 1T. Magneto-transport measurements demonstrated that the
large low-field ma... | 1511.03017v1 |
2017-07-10 | Inflated nodes and surface states in superconducting half-Heusler compounds | Two topics of high current interest in the field of unconventional
superconductivity are non-centrosymmetric superconductors and multiband
superconductivity. Half-Heusler superconductors such as YPtBi exemplify both.
In this paper, we study bulk and surface states in nodal superconducting phases
of the half-Heusler com... | 1707.02739v2 |
2020-04-26 | High thermoelectric performance of half-Heusler compound BiBaK with intrinsically low lattice thermal conductivity | Half-Heusler compounds usually exhibit relatively higher lattice thermal
conductivity that is undesirable for thermoelectric applications. Here we
demonstrate by first-principles calculations and Boltzmann transport theory
that the BiBaK system is an exception, which has rather low thermal
conductivity as evidenced by ... | 2004.12324v1 |
2016-12-19 | Completely compensated ferrimagnetism and sublattice spin crossing in the half-metallic Heusler compound Mn1.5FeV0.5Al | The Slater-Pauling rule states that L21 Heusler compounds with 24 valence
electrons do never exhibit a total spin magnetic moment. In case of strongly
localized magnetic moments at one of the atoms (here Mn) they will exhibit a
fully compensated half-metallic ferrimagnetic state instead, in particular,
when symmetry do... | 1612.06300v1 |
2016-12-29 | Magnetovolume Effects in Heusler Compounds via First-Principles Calculations | Heusler alloys are promising for several applications, including magnetic
refrigeration, due to high magnetocaloric and magnetovolume effects. One way to
optimize this potential is by increasing the magnetovolume effect. Using
density functional theory with the Korringa-Kohn-Rostoker method, we calculate
the effective ... | 1612.09133v1 |
2020-10-22 | Anomalous Quantum Oscillations in Spin-3/2 Topological Semimetal YPtBi | The proposed high-spin superconductivity in the half-Heusler compounds
changes the landscape of superconductivity research. While superconducting
instability is possible only in systems with quantum mechanically coherent
quasiparticles, it has not been verified for any proposed high-spin Fermi
surfaces. Here we report ... | 2010.12085v2 |
2017-10-27 | Near total magnetic moment compensation without reduction in T_C of Mn_2 V_0.5 Co_0.5 Z (Z=Ga,Al) Heusler compounds | Mn_2V_1-xCo_xZ (Z=Ga,Al and x=0, 0.25, 0.5, 0.75, 1) Heusler compounds have
been synthesized to investigate the effect of Co substitution at the V site on
the magnetic moment and Curie temperatures of half-metallic ferrimagnets
Mn_2VGa and Mn_2VAl. The Co substituted compounds show a non linear decrease in
lattice para... | 1710.09971v1 |
2004-07-01 | Magnetic tunneling junctions with the Heusler compound Co_2Cr_{0.6}Fe_{0.4}Al | The Heusler alloy is used as an electrode of magnetic tunneling junctions.
The junctions are deposited by magnetron dc sputtering using shadow mask
techniques with AlO_{x} as a barrier and cobalt as counter electrode.
Measurements of the magnetoresistive differential conductivity in a temperature
range between 4K and 3... | 0407034v1 |
2007-03-28 | Crystalline electric fields and the magnetic ground state of the novel Heusler intermetallic YbRh$_{2}$Pb | We have synthesized a new intermetallic compound with a distorted Heusler
structure, YbRh$_{2}$Pb. We present a study of the magnetic, thermal, and
transport properties. Heat capacity measurements revealed that YbRh$_{2}$Pb
orders magnetically below T$_{N}$=0.57 K from a paramagnetic state with
substantial crystal elec... | 0703765v2 |
2007-01-25 | Doping of Mn$_2$VAl and Mn$_2$VSi Heusler alloys as a route to half-metallic antiferromagnetism | Half-metallic antiferromagnets are the ideal materials for spintronic
applications since their zero magnetization leads to lower stray fields and
thus tiny energy losses. Starting from the Mn$_2$VAl and Mn$_2$VSi alloys we
substitute Co or Fe for Mn and we show by means of first-principle electronic
structure calculati... | 0701611v1 |
2010-02-28 | A new platform for topological quantum phenomena : Topological Insulator states in thermoelectric Heusler-related ternary compounds | Topological insulators (TI) realize a novel state of quantum matter that are
distinguished by topological invariants of bulk band structure rather than
spontaneously broken symmetries. A number of exotic quantum phenomena have been
predicted to exist in multiply-connected geometries which require an enormous
amount of ... | 1003.0155v1 |
2017-05-11 | Pursuit of thermoelectric properties in a novel Half Heusler compound: HfPtPb | We explore the structural, electronic, mechanical and thermoelectric
properties of a new half Heusler compound, HfPtPb which is all metallic heavy
element and has been recently been proposed to be stable [Nature Chem 7 (2015)
308]. In the present work, we employ density functional theory and
semiclassical Boltzmann tra... | 1705.04015v1 |
2019-09-24 | Understanding the origin of the magneto-caloric effects in substitutional Ni-Mn-Sb-Z (Z=Fe, Co, Cu) compounds: insights from first-principles calculations | Ni-Mn based ternary Heusler compounds have drawn attentions lately as
significant magneto-caloric effects in some of them have been observed.
Substitution of Ni and Mn by other $3d$ transition metals in controlled
quantity have turned out to be successful in enhancing the effect and bring the
operational temperatures c... | 1909.10667v1 |
2021-06-06 | Prediction of half-metallicity and spin-gapless semiconducting behavior in the new series of FeCr-based quaternary Heusler alloys: an ab initio study | This paper presents a detailed investigation of FeCr-based quaternary Heusler
alloys. By using ultrasoft pseudopotential, electronic and magnetic properties
of the compounds are studied within the framework of Density Functional Theory
(DFT) by using the Quantum Espresso package. The thermodynamic, mechanical, and
dyna... | 2106.03026v1 |
2021-06-24 | A first-principles investigation of band inversion in topologically nontrivial Na2AgX (X= As, Sb and Bi) full Heusler compounds | Topological nontrivial nature are the latest phases to be discovered in
condensed matter physics with insulating bulk band gaps and topologically
protected metallic surface states; they are one of the current hot topics
because of their unique properties and potential applications. In this paper,
we have highlighted a ... | 2106.13184v1 |
2023-12-06 | First-principles prediction of energy band gaps in 18-valence electron semiconducting half-Heusler compounds: Exploring the role of exchange and correlation | The choice of exchange functional is a critical factor in determining the
energy bandgap of semiconductors. Ab initio calculations using different
exchange functionals, including the conventional generalized-gradient
approximation (GGA) functionals, meta-GGA functionals, and hybrid functionals,
show significant differe... | 2312.03321v2 |
2013-07-08 | Significant ZT Enhancement in p-type Ti(Co,Fe)Sb-InSb Nanocomposites via a Synergistic High Mobility Electron Injection Energy filtering and Boundary Scattering Approach | It has been demonstrated that InSb nanoinclusions, which are formed in situ,
can simultaneously improve all three individual thermoelectric properties of
the n-type half Heusler compound (Ti,Zr,Hf)(Co,Ni)Sb [Xie et al., Acta Mater.
58, 4795 (2010)]. In the work presented herein, we have adopted the same
approach to the... | 1307.2160v1 |
2018-03-05 | Simulation study of ballistic spin-MOSFET devices with ferromagnetic channels based on some Heusler and oxide compounds | Newly emerged materials from the family of Heuslers and complex oxides
exhibit finite bandgaps and ferromagnetic behavior with Curie temperatures much
higher than even room temperature. In this work, using the semiclassical
top-of-the-barrier FET model, we explore the operation of a spin-MOSFET that
utilizes such ferro... | 1803.01789v1 |
2019-09-27 | Surface Reconstructions of Heusler Compounds in the Ni-Ti-Sn (001) System | As progress is made on thin-film synthesis of Heusler compounds, a more
complete understanding of the surface will be required to control their
properties, especially as functional heterostructures are explored. Here, the
surface reconstructions of semiconducting half-Heusler NiTiSn(001), and
Ni1+xTiSn(001) (x=0.0-1.0)... | 1909.12487v1 |
2023-11-10 | Strong-coupling superconductivity of the Heusler-type compound ScAu2Al: Ab-initio studies | The ScAu$_2$Al superconducting Heusler-type compound was recently
characterized to have the highest critical temperature of $T_c = 5.12$ K and
the strongest electron-phonon coupling among the Heusler family. In this work,
the electronic structure, phonons, electron-phonon coupling, and
superconductivity of ScAu$_2$Al a... | 2311.06075v3 |
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