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2015-12-24 | Importance of spin-orbit coupling in power factor calculations for half-Heusler ANiB (A=Ti, Hf, Sc, Y; B=Sn, Sb, Bi) | We investigate the spin-orbit coupling (SOC) effects on the electronic
structures and semi-classic transport coefficients of half-Heusler
$\mathrm{ANiB}$ (A=Ti, Hf, Sc, Y; B=Sn, Sb, Bi) by using generalized gradient
approximation (GGA). Calculated results show that SOC splits the valence bands
at high symmetry $\Gamma$... | 1512.07710v1 |
2017-08-03 | A comparative study of different exchange-correlation functionals in understanding structural, electronic and thermoelectric properties of Fe$_{2}$VAl and Fe$_{2}$TiSn compounds | Fe$_{2}$VAl and Fe$_{2}$TiSn are full Heusler compounds with non-magnetic
ground state. The two compouds are good thermoelectric materials. PBE and
LDA(PW92) are the two most commonly used density functionals to study the
Heusler compounds. Along with these two well studied exchange-correlation
functionals, recently de... | 1708.01180v1 |
2023-07-26 | Giant spin-charge conversion in ultrathin films of the MnPtSb half-Heusler compound | Half-metallic half-Heusler compounds with strong spin-orbit-coupling and
broken inversion symmetry in their crystal structure are promising materials
for generating and absorbing spin-currents, thus enabling the electric
manipulation of magnetization in energy-efficient spintronic devices. In this
work, we report the s... | 2307.14516v1 |
2005-10-08 | Design of magnetic materials: Co$_2$Cr$_{1-x}$Fe$_{x}$Al | Doped Heusler compounds Co$_2$Cr$_{1-x}$Fe$_{x}$Al with varying Cr to Fe
ratio $x$ were investigated experimentally and theoretically. The electronic
structure of the ordered, doped Heusler compound Co$_2$Cr$_{1-x}$Fe$_{x}$Al
($x=n/4, n=0,1,2,3,4)$ was calculated using different types of band structure
calculations. Th... | 0510203v1 |
2013-09-25 | Band structure calculations of Ti\raisebox{-.2ex}{\scriptsize 2}FeSn: a new half-metallic compound | Within the framework of density functional theory, the electronic structure
and magnetic properties have been studied for the
Ti\raisebox{-.2ex}{\scriptsize 2}FeSn full-Heusler compound. The ferromagnetic
state is found to be energetically more favorable than paramagnetic and
antiferromagnetic states. The spin-polarize... | 1309.6442v1 |
2015-11-09 | NMR Evidence for the Topologically Nontrivial Nature in a Family of Half-Heusler Compounds | Spin-orbit coupling (SOC) is expected to partly determine the topologically
nontrivial electronic structure of heavy half-Heusler ternary compounds.
However, to date, attempts to experimentally observe either the strength of SOC
or how it modifies the bulk band structure have been unsuccessful. By using
bulk-sensitive ... | 1511.02706v2 |
2020-02-07 | Engineering Co$_2$MnAl$_x$Si$_{1-x}$ Heusler compounds as a model system to correlate spin polarization, intrinsic Gilbert damping and ultrafast demagnetization | Engineering of magnetic materials for developing better spintronic
applications relies on the control of two key parameters: the spin polarization
and the Gilbert damping responsible for the spin angular momentum dissipation.
Both of them are expected to affect the ultrafast magnetization dynamics
occurring on the femt... | 2002.02686v1 |
2020-03-21 | Scaling of quadratic and linear magnetooptic Kerr effect spectra with L2$_1$ ordering of Co$_2$MnSi Heusler compound | The Heusler compound Co$_2$MnSi provides a crystallographic transition from
B2 to L2$_1$ structure with increasing annealing temperature $T_a$, being a
model system for investigating the influence of crystallographic ordering on
structural, magnetic, optic, and magnetooptic (MO) properties. Here, we present
quadratic m... | 2003.09728v2 |
2023-07-18 | Effect of Spin Orbit Coupling in non-centrosymmetric half-Heusler alloys | Spin-orbit coupled electronic structure of two representative non-polar
half-Heusler alloys, namely 18 electron compound CoZrBi and 8 electron compound
SiLiIn have been studied in details. An excursion through the Brillouin zone of
these alloys from one high symmetry point to the other revealed rich local
symmetry of t... | 2308.03760v2 |
2021-07-08 | Lattice thermal conductivity of half-Heuslers with density functional theory and machine learning: Enhancing predictivity by active sampling with principal component analysis | Low lattice thermal conductivity is essential for high thermoelectric
performance of a material. Lattice thermal conductivity is often computed using
density functional theory (DFT), typically at a high computational cost.
Training machine learning models to predict lattice thermal conductivity could
offer an effective... | 2107.03735v2 |
2020-08-09 | Ab initio study of the half-metallic full-Heusler compounds Co$_2$ZAl [Z = Sc, Ti, V, Cr, Mn, Fe]; the role of electronic correlations | We study the structural, electronic, and magnetic properties of Co$_2$ZAl
compounds employing a pseudopotential electronic bandstructure method. The
stability of the compounds is established through the formation and cohesive
energy calculations. The effect of the lattice parameter variation on the
electronic and magne... | 2008.03732v1 |
2002-03-04 | X-ray spectra of 3d metals of Heusler alloys and La$_{1-x}$Sm$_x$Mn$_2$Si$_2$ compounds | The Mn x-ray emission spectra and x-ray photoemission spectra of Mn-based
Heusler alloys Co$_2$MnAl, Co$_2$MnSb and La$_{1-x}$Sm$_x$Mn$_2$Si$_2$
compounds (x=0, 0.8) have been measured and discussed in connection with a
value local magnetic moment at Mn site. The spectra peculiarities reflect also
the localization degr... | 0203069v3 |
2006-11-17 | Ab initio prediction of half-metallic properties for the ferromagnetic Heusler alloys Co$_2$MSi (M=Ti, V, Cr) | By means of density functional calculations the magnetic and electronic
properties and phase stabilities of the Heusler compounds Co$_2$MSi (with M=Ti,
V, Cr, Mn, Fe, Co, Ni) were investigated. Based on the calculated results we
predict the ferromagnetic phases of the compounds Co$_2$TiSi, Co$_2$VSi and
Co$_2$CrSi to b... | 0611466v1 |
2008-10-05 | Determination of exchange constants of Heusler compounds by Brillouin light scattering spectroscopy: application to Co$_2$MnSi | Brillouin light scattering spectroscopy from so-called standing spin waves in
thin magnetic films is often used to determine the magnetic exchange constant.
The data analysis of the experimentally determined spin-wave modes requires an
unambiguous assignment to the correct spin wave mode orders. Often additional
invest... | 0810.0834v3 |
2008-11-27 | Electron correlations in Co$_2$Mn$_{1-x}$Fe$_x$Si Heusler compounds | This study presents the effect of local electronic correlations on the
Heusler compounds Co$_2$Mn$_{1-x}$Fe$_x$Si as a function of the concentration
$x$. The analysis has been performed by means of first-principles
band-structure calculations based on the local approximation to spin-density
functional theory (LSDA). Co... | 0811.4625v1 |
2010-11-10 | Ab initio prediction of ferrimagnetism, exchange interactions and Curie temperatures in Mn2TiZ Heusler compounds | The Heusler compounds Mn$_2$TiZ (Z = Al, Ga, In, Si, Ge, Sn, P, As, Sb) are
of large interest due to their potential ferrimagnetic properties and high spin
polarization. Here, we present calculations of the structural and magnetic
properties of these materials. Their magnetic moment follows the Slater-Pauling
rule $m =... | 1011.2486v1 |
2011-07-04 | Influence of tetragonal distortion on the topological electronic structure of the half-Heusler compound LaPtBi from first principles | The electronic structures of tetragonally distorted half-Heuselr compound
LaPtBi in the C1b structure are investigated in the framework of density
functional theory using the full potential linearized augmented plane with
local spin density approximation method. The calculation results show that both
the band structure... | 1107.0531v1 |
2012-09-29 | Realization of spin gapless semiconductors: the Heusler compound Mn2CoAl | Recent studies have reported an interesting class of semiconductor materials
that bridge the gap between semiconductors and halfmetallic ferromagnets. These
materials, called spin gapless semiconductors, exhibit a bandgap in one of the
spin channels and a zero bandgap in the other and thus allow for tunable spin
transp... | 1210.0148v1 |
2012-12-13 | First-principles study of the structural stability of Mn3Z (Z=Ga, Sn and Ge) Heusler compounds | We investigate the structural stability and magnetic properties of cubic,
tetragonal and hexagonal phases of Mn3Z (Z=Ga, Sn and Ge) Heusler compounds
using first-principles density-functional theory. We propose that the cubic
phase plays an important role as an intermediate state in the phase transition
from the hexago... | 1212.3144v1 |
2014-02-24 | Experimental realization of a semiconducting full Heusler compound: Fe2TiSi | Single-phase films of the full Heusler compound Fe2TiSi have been prepared by
magnetron sputtering. The compound is found to be a semiconductor with a gap of
0.4eV. The electrical resistivity has a logarithmic temperature dependence up
to room temperature due to Kondo scattering of a dilute free electron gas off
superp... | 1402.5755v1 |
2016-04-21 | Magnetic properties and Curie temperatures of disordered Heusler compounds: Co(1+x)Fe(2-x)Si | The local atomic environments and magnetic properties were investigated for a
series of Co(1+x)Fe(2-x)Si (0<x<1) Heusler compounds. While the total magnetic
moment in these compounds increases with the number of valance electrons, the
highest Curie temperature (Tc) in this series was found for Co1.5Fe1.5Si, with
a Tc o... | 1604.06235v1 |
2016-11-24 | Design of L2_1-type antiferromagnetic semiconducting full-Heusler compounds: A first principles DFT+GW study | Antiferromagnetic spintronics is an on-going growing field of research.
Employing both standard density functional theory and the $GW$ approximation
within the framework of the FLAPW method, we study the electronic and magnetic
properties of seven potential antiferromagnetic semiconducting Heusler
compounds with 18 (or... | 1611.08080v2 |
2018-01-25 | Heusler compounds -- how to tune the magnetocrystalline anisotropy | Tailoring and controlling magnetic properties is an important factor for
materials design. Here, we present a case study for Ni-based Heusler compounds
of the type Ni$_2$YZ with Y = Mn, Fe, Co and Z = B, Al, Ga, In, Si, Ge, Sn
based on first principles electronic structure calculations. These compounds
are interesting ... | 1801.08511v1 |
2018-06-14 | Superconductivity in half-Heusler compound TbPdBi | We have studied the half-Heusler compound TbPdBi through resistivity,
magnetization, Hall effect and heat capacity measurements. A semimetal behavior
is observed in its normal state transport properties, which is characterized by
a large negative magnetoresistance below 100 K. Notably, we find the
coexistence of superc... | 1806.05314v1 |
2018-11-12 | Interface spin polarization of the Heusler compound Co2MnSi probed by unidirectional spin Hall magnetoresistance | Many Heusler compounds are predicted to be ferromagnetic half metals in the
bulk, which makes them promising compounds for spintronics. However, for
devices the transport spin polarization at specific interfaces requires
optimization. We show that investigations of the unidirectional
magnetoresistance provide an altern... | 1811.04592v2 |
2020-08-11 | Effect of doping on SGS and weak half-metallic properties of inverse Heusler Alloys | Heusler alloys with Mn and Co have been found to exhibit interesting
electronic and magnetic properties. Mn$_2$CoAl is well known SGS compound while
Mn$_2$CoGa has weak half metallic character. By using plane wave
pseudo-potential method, we studied the effect of Fe and Cr doping on
half-metalicity and magnetism of the... | 2008.04536v1 |
2019-03-28 | Anisotropic Topological Hall Effect with Real and Momentum Space Berry Curvature in the Antiskrymion Hosting Heusler Compound Mn$_{1.4}$PtSn | The topological Hall effect (THE) is one of the key signatures of
topologically non-trivial magnetic spin textures, wherein electrons feel an
additional transverse voltage to the applied current. The magnitude of THE is
often small compared to the anomalous Hall effect. Here, we find a large THE of
0.9 $\mu\Omega$cm th... | 1903.12037v1 |
2019-05-23 | Thermodynamic and Thermoelectric Properties of CoFeYGe (Y= Ti, Cr) Quaternary Heusler Alloys: First Principle Calculations | Utilizing a material in thermoelectric applications requires a mechanical,
thermal, and lattice stability as well a high figure of merit (ZT). In this
work, we present the structural, electronic, magnetic, mechanical,
thermodynamic, dynamic, and thermoelectric properties of CoFeYGe (Y = Ti, Cr)
quaternary Heusler compo... | 1905.09854v1 |
2020-03-06 | Unexpected band gap increase in the Fe2VAl Heusler compound | Knowing the electronic structure of a material is essential in energy
applications to rationalize its performance and propose alternatives. Materials
for thermoelectric applications are generally small-gap semiconductors and
should have a high figure of merit ZT. Even if the Fe2VAl Heusler compound has
a decent ZT, its... | 2003.03166v1 |
2020-12-08 | Importance of Electronic Correlation in the Intermetallic Half-Heusler Compounds | Low temperature scanning tunneling spectroscopy of HfNiSn shows a V^m(m < 1)
zero bias anomaly around the Fermi level. This local density of states with a
fractional power law shape is well known to be a consequence of electronic
correlations. For comparison, we have also measured the tunneling conductances
of other ha... | 2012.04184v1 |
2021-12-18 | Structural, elastic, electronic and optical properties of the half-Heusler ScPtSb and YPtSb compounds under pressure | First-principles calculations using the plane-wave pseudopotential method
within the generalized gradient approximation method were performed to study
the pressure dependence of the structural, elastic, electronic and optical
properties for the half-Heusler compounds ScPtSb and YPtSb in a cubic
MgAgAs-type structure. T... | 2112.09940v1 |
2003-05-07 | Appearance of Half-Metallicity in the Quaternary Heusler Alloys | I report systematic first-principle calculations of the quaternary Heusler
alloys like Co$_2$[Cr$_{1-x}$Mn$_x$]Al, Co$_2$Mn[Al$_{1-x}$Sn$_x$] and
[Fe$_{1-x}$Co$_x$]$_2$MnAl. I show that when the two limiting cases (x=0 or 1)
correspond to a half-metallic compound, so do the intermediate cases. Moreover
the total spin m... | 0305134v1 |
2006-10-30 | Spin-polarization and electronic properties of half-metallic Heusler alloys calculated from first-principles | Half-metallic Heusler alloys are amongst the most promising materials for
future magnetoelectronic applications. We review some recent results on the
electronic properties of these compounds. The origin of the gap in these
half-metallic alloys and its connection to the magnetic properties are well
understood. Changing ... | 0610827v1 |
2013-04-12 | Crossover of magnetoresistance in the zerogap half-metallic Heusler alloy Fe2CoSi | This work reports on the band structure and magneto-transport investigations
of the inverse Heusler compound Fe2CoSi. The first-principles calculations
reveal that Fe2CoSi has a very peculiar band structure with a conducting
property in the majority spin channel and a nearly zero bandgap in the minority
spin channel. T... | 1304.3517v1 |
2018-03-27 | Subamorphous thermal conductivity of crystalline half-Heusler superlattices | The quest to improve the thermoelectric figure of merit has mainly followed
the roadmap of lowering the thermal conductivity while keeping unaltered the
power factor of the material. Ideally an electron-crystal phonon-glass system
is desired. In this work, we report an extraordinary reduction of the
cross-plane thermal... | 1803.09920v2 |
2018-09-19 | Quaternary Heusler Alloy: An Ideal Platform to Realize Triple Point Fermion | The existence of three fold rotational, mirror and time reversal symmetries
often give rise to the triply degenerate nodal point (TP) in the band structure
of a material. Based on point group symmetry analysis and first principle
electronic structure, we predict, in this article, a series of quaternary
Heusler alloys h... | 1809.07026v1 |
2017-04-03 | Half-Heusler alloy LiBaBi: A new topological semimetal with five-fold band degeneracy | Based on first-principles study, we report the finding of a new topological
semimetal LiBaBi in half-Heusler phase. The remarkable feature of this
nonmagnetic, inversion-symmetry-breaking material is that it consists of only
simple $s$- and $p$-block elements. Interestingly, the material is ordinary
insulator in the ab... | 1704.00697v1 |
2019-01-28 | Magnetotransport properties and giant anomalous Hall angle in half-Heusler compound TbPtBi | Magnetic lanthanide half-Heuslers ($R$PtBi; $R$ being the lanthanide)
represent an attractive subgroup of the Heusler family and have been identified
as ideal candidates for time reversal symmetry breaking topological Weyl
semimetals. In this paper, we present the detailed analysis of the
magnetotransport properties of... | 1901.09534v1 |
2012-09-27 | Fabrication and characterization of semiconducting half Heusler YPtSb thin films | The semiconducting half Heusler compound YPtSb was predicted theoretically to
be capable of changing into topological insulator under proper strain. In this
work, p type semiconducting half-Heusler YPtSb thin films were prepared by
magnetron co-sputtering method from a specially designed target for the first
time. Text... | 1209.6288v2 |
2018-02-07 | Structure, magnetic and transport properties of epitaxial thin films of equiatomic CoFeMnGe quaternary Heusler alloy | Future spintronics requires the realization of thin film of half-metallic
ferromagnets having high Curie temperature and 100\% spin polarization at the
Fermi level for potential spintronics applications. In this paper, we report
the epitaxial thin films growth of half-metallic CoFeMnGe Heusler alloy on MgO
(001) substr... | 1802.02413v1 |
2017-06-01 | Prediction of triple point fermions in simple half-Heusler topological insulators | We predict the existence of triple point fermions in the band structure of
several half-Heusler topological insulators by $ab~initio$ calculations and the
Kane model. We find that many half-Heusler compounds exhibit multiple triple
points along four independent $C_3$ axes, through which the doubly degenerate
conduction... | 1706.00200v1 |
2020-09-09 | Structural, Elastic, Electronic and Magnetic Properties of MnNbZ (Z=As, Sb) and FeNbZ (Z=Sn, Pb) Semi-Heusler Alloys | The study of structural, electronic, magnetic, and elastic properties of new
series of semi-Heusler alloys MnNbZ (Z=As, Sb) and FeNbZ (Z=Sn, Pb) has been
performed by density functional theory. The magnetic phase and hence the
structural stability of the alloys were considered wherein ferromagnetic state
is found to st... | 2009.04123v1 |
2021-04-29 | Nonlinear Hall Effect in Antiferromagnetic Half-Heusler Materials | It has recently been demonstrated that various topological states, including
Dirac, Weyl, nodal-line, and triple-point semimetal phases, can emerge in
antiferromagnetic (AFM) half-Heusler compounds. However, how to determine the
AFM structure and to distinguish different topological phases from transport
behaviors rema... | 2104.14127v1 |
2024-03-13 | Study of Physical Characteristics of the New Half-Heusler Alloy BaHgSn by DFT Analysis | To investigate the physical characteristics of the half-Heusler BaHgSn
molecule, we used theoretical calculations within the Density Functional Theory
(DFT) framework utilizing the LSDA+mBJ technique in this study. Using the
optimal lattice parameters, we discover that half-Heusler BaHgSn exhibits a
Dirac semimetal beh... | 2403.08483v1 |
2014-12-07 | Prediction and accelerated laboratory discovery of previously unknown 18-electron ABX compounds | Chemists and material scientists have often focused on the properties of
previously reported compounds, leaving out numerous unreported but chemically
plausible compounds that could have interesting properties. For example, the
18-valence electron ABX family of compounds includes the half-Heusler subgroup,
and features... | 1412.2398v1 |
2017-06-01 | Materials Screening for the Discovery of New Half-Heuslers: Machine Learning versus Ab Initio Methods | Machine learning (ML) is increasingly becoming a helpful tool in the search
for novel functional compounds. Here we use classification via random forests
to predict the stability of half-Heusler (HH) compounds, using only
experimentally reported compounds as a training set. Cross-validation yields an
excellent agreemen... | 1706.00192v1 |
2011-05-02 | Design scheme of new multifunctional Heusler compounds for spin-transfer torque applications | This paper has been withdrawn. | 1105.0337v2 |
2022-02-14 | $Ab$ $Initio$ Study of Magnetic Tunnel Junctions Based on Half-Metallic and Spin-Gapless Semiconducting Heusler Compounds: Reconfigurable Diode and Inverse Tunnel-Magnetoresistance Effect | Magnetic tunnel junctions (MTJs) have attracted strong research interest
within the last decades due to their potential use as nonvolatile memory such
as MRAM as well as for magnetic logic applications. Half-metallic magnets
(HMMs) have been suggested as ideal electrode materials for MTJs to achieve an
extremely large ... | 2202.06752v2 |
2006-06-05 | Properties of the quaternary half-metal-type Heusler alloy Co$_2$Mn$_{1-x}$Fe$_x$Si | This work reports on the bulk properties of the quaternary Heusler alloy
Co$_2$Mn$_{1-x}$Fe$_x$Si with the Fe concentration $x=$. All samples, which
were prepared by arc melting, exhibit $L2_1$ long range order over the complete
range of Fe concentration. Structural and magnetic properties of
Co$_2$Mn$_{1-x}$Fe$_x$Si H... | 0606108v2 |
2015-12-15 | Half-metallic, Co-based quaternary Heuslers for spintronics: defect- and pressure-induced transitions and properties | Heusler compounds offer potential as spintronic devices due to their
spin-polarization and half-metallicity properties, where electron spin-majority
(minority) manifold exhibits states (band gap) at the electronic chemical
potential, yielding full spin-polarization in a single manifold. Yet, Heuslers
often exhibit intr... | 1512.04805v2 |
2022-08-29 | Substantial enhancement in thermoelectric figure-of-merit of half Heusler ZrNiPb alloys | Ternary half Heusler alloys are under intense investigations recently towards
achieving high thermoelectric figure-of-merit (ZT). Of particular interest is
the ZrNiPb based half Heusler (HH) alloy where an optimal value of ZT = 0.7 at
773 K has been achieved by co-doping Sn and Bi at Pb site. In this work, we
identify ... | 2208.13563v1 |
2022-09-28 | First Principles Study of the Electronic Structure of the Ni$_2$MnIn/InAs and Ti$_2$MnIn/InSb interfaces | We present a first-principles study of the electronic and magnetic properties
of epitaxial interfaces between the Heusler compounds Ti$_2$MnIn and Ni$_2$MnIn
and the III-V semiconductors, InSb and InAs, respectively. We use density
functional theory (DFT) with a machine-learned Hubbard $U$ correction
determined by Baye... | 2209.14101v3 |
2022-12-15 | Exploration of all-3d Heusler alloys for permanent magnets: an ab initio based high-throughput study | Heusler alloys have attracted interest in various fields of functional
materials since their properties can quite easily be tuned by composition.
Here, we have investigated the relatively new class of all-3d Heusler alloys in
view of its potential as permanent magnets. To identify suitable candidates, we
performed a hi... | 2212.07845v3 |
2016-10-19 | Bismuth based Half Heusler Alloys with giant thermoelectric figure of merit | Half Heusler (HH) thermoelectric alloys provide a wide platform to choose
materials with non-toxic and earth abundant elements. This article presents an
ab-initio theoretical evaluation of electrical and thermal transport properties
of three Bismuth-based most promising thermoelectric alloys, selected out of 54
stable ... | 1610.06038v2 |
2018-11-12 | Evidence for unconventional superconductivity in Half-Heusler YPdBi and TbPdBi compounds revealed by London penetration depth measurements | The half-Heusler compounds YPdBi and TbPdBi, while having similar band
structure, exhibit different magnetic properties. YPdBi is a diamagnet, while
TbPdBi shows antiferromagnetic order below 5.5 K. Both are superconductors with
T${_c}\approx$1 K for YPdBi and T${_c}\approx$1.75 K for TbPdBi. Such a
contrast in propert... | 1811.05045v1 |
2023-03-15 | Rare observation of spin-gapless semiconducting characteristics and related band topology of quaternary Heusler alloy CoFeMnSn | In this paper, we report the theoretical investigation and experimental
realization of a new spin-gapless semiconductor (SGSs) compound CoFeMnSn
belonging to the family of quaternary Heusler alloys. Through the use of
several ground-state energy calculations, the most stable structure has been
identified. Calculations ... | 2303.08589v2 |
2023-09-09 | Accelerating Discovery of Vacancy Ordered 18-Valence Electron Half-Heusler Compounds: A Synergistic Approach of Machine Learning and Density Functional Theory | In this study, we attempted to model vacancy ordered half Heusler compounds
with 18 valence electron count (VHH) derived from 19 VEC compounds such as
TiNiSb such that the compositions will be Ti0.75NiSb, Zr0.75NiSb and Hf0.75NiSb
with semiconducting behavior. The main motivation is that such a
vacancy-ordered phase no... | 2309.04692v1 |
2011-08-18 | Comparison of two structures for transition-metal-based half Heusler alloys exhibiting fully compensated half metallicity | We search for new fully compensated half metals, in which only one electronic
spin channel is conducting and there exists no net magnetic moment. We focus on
half Heusler alloys and we examine the physical consequence of different
crystal structures found in the literature for these compounds, XMnZ, with a
transition m... | 1108.3651v1 |
2017-07-03 | Large magneto-Seebeck effect in magnetic tunnel junctions with half-metallic Heusler electrodes | Spin caloritronics studies the interplay between charge-, heat- and
spin-currents, which are initiated by temperature gradients in magnetic
nanostructures. A plethora of new phenomena has been discovered that promises,
e.g., to make wasted heat in electronic devices useable or to provide new
read-out mechanisms for inf... | 1707.00505v2 |
2019-05-22 | Ultra-low magnetic damping in Co 2 Mn-based Heusler compounds: promising materials for spintronic | The prediction of ultra-low magnetic damping in Co 2 MnZ Heusler half-metal
thin-film magnets is explored in this study and the damping response is shown
to be linked to the underlying electronic properties. By substituting the Z
elements in high crystalline quality films (Co 2 MnZ with Z=Si, Ge, Sn, Al, Ga,
Sb), elect... | 1905.08987v1 |
2020-06-17 | Epitaxy, exfoliation, and strain-induced magnetism in rippled Heusler membranes | Single-crystalline membranes of functional materials enable the tuning of
properties via extreme strain states; however, conventional routes for
producing membranes require the use of sacrificial layers and chemical
etchants, which can both damage the membrane and limit the ability to make them
ultrathin. Here we demon... | 2006.10100v3 |
2020-07-15 | Experimentally correlating thermal hysteresis and phase compatibility in multifunctional Heusler alloys | Thermal hysteresis is recognized as one of the main drawbacks for cyclical
applications of magnetocaloric and ferromagnetic shape memory materials with
first order transformations. As such, the challenge is to develop strategies
that improve the compatibility between the phases involved in the transitions
and study its... | 2007.07485v1 |
2022-04-07 | First Principles Study of the Structural, Mechanical, Electronic, and Lattice Dynamical Properties of the Half-Heusler Alloys ZrCoY (Y=Sb, Bi ) | First-principles calculation has led to significant discoveries in materials
science. Half heusler (HH) alloys, which are potential thermoelectric materials
have demonstrated significant improvements in thermoelectric performance owing
to their thermal stability, mechanical strength, and moderate ZT. Using Density
Func... | 2204.03759v1 |
2022-10-14 | Anti-site disorder and Berry curvature driven anomalous Hall effect in spin gapless semiconducting Mn2CoAl Heusler compound | Spin gapless semiconductors exhibit a finite band gap for one spin channel
and closed gap for other spin channel, emerged as a new state of magnetic
materials with a great potential for spintronic applications. The first
experimental evidence for the spin gapless semiconducting behavior was observed
in an inverse Heusl... | 2210.07668v1 |
2002-09-11 | Exchange bias in [Co2MnGe/Au],[Co2MnGe/Cr] and [Co2MnGe/Cu2MnAl] multilayers | We report structural and magnetic properties of multilayers composed of thin
layers of the half metallic ferromagnetic Heusler compound Co2MnGe and layers
of Au, Cr and the Heusler compound Cu2MnAl. The hysteresis loops measured at
low temperatures reveal the existence of an exchange bias field HEB in all of
these mult... | 0209259v1 |
2006-06-21 | Magnetic anisotropies and magnetization reversal of the Co$_2$Cr$_{0.6}$Fe$_{0.4}$Al Heusler compound | Magnetic anisotropies and magnetization reversal properties of the epitaxial
Heusler compound Co$_2$Cr$_{0.6}$Fe$_{0.4}$Al (CCFA) deposited on Fe and Cr
buffer layers are studied. Both samples exhibit a growth-induced fourfold
anisotropy, and magnetization reversal occurs through the formation of stripy
domains or 90 d... | 0606542v1 |
2006-12-10 | Substituting the main group element in cobalt - iron based Heusler alloys: Co$_2$FeAl$_{1-x}$Si$_x$ | This work reports about electronic structure calculations for the Heusler
compound Co$_2$FeAl$_{1-x}$Si$_x$. Particular emphasis was put on the role of
the main group element in this compound. The substitution of Al by Si leads to
an increase of the number of valence electrons with increasing Si content and
may be seen... | 0612241v1 |
2008-09-29 | Hall effect in laser ablated Co_2(Mn,Fe)Si thin films | Pulsed laser deposition was employed to grow thin films of the Heusler
compounds Co_2MnSi and Co_2FeSi. Epitaxial growth was realized both directly on
MgO (100) and on a Cr or Fe buffer layer. Structural analysis by x-ray and
electron diffraction shows for both materials the ordered L2_1 structure. Bulk
magnetization w... | 0809.4978v1 |
2009-05-24 | Density functional study of elastic and vibrational properties of the Heusler-type alloys Fe$_2$VAl and Fe$_2$VGa | The structural and elastic properties as well as phonon-dispersion relations
of the Heusler-type alloys Fe$_2$VAl and Fe$_2$VGa are computed using
density-functional and density-functional perturbation theory within the
generalized-gradient approximation. The calculated equilibrium lattice
constants agree well with the... | 0905.3909v1 |
2012-07-27 | Half-Metallic Ferromagnetism in the Heusler Compound Co$_2$FeSi revealed by Resistivity, Magnetoresistance, and Anomalous Hall Effect measurements | We present electrical transport data for single-crystalline Co$_2$FeSi which
provide clear-cut evidence that this Heusler compound is truly a half-metallic
ferromagnet, i.e. it possesses perfect spin-polarization. More specifically,
the temperature dependence of $\rho$ is governed by electron scattering off
magnons whi... | 1207.6611v1 |
2013-02-08 | Superconductivity in the noncentrosymmetric half-Heusler compound LuPtBi : A possible topological superconductor | We report superconductivity in the ternary half-Heusler compound LuPtBi, with
Tc = 1.0 K and Hc2 = 1.6 T. The crystal structure of LuPtBi lacks inversion
symmetry, hence the material is a noncentrosymmetric superconductor.
Magnetotransport data show semimetallic behavior in the normal state, which is
evidence for the i... | 1302.1943v2 |
2013-02-11 | Phase stability of chromium based compensated ferrimagnets with inverse Heusler structure | Chromium based inverse Heusler compounds of the type Cr2YZ (Y=Co, Fe; Z=Al,
Ga, In, Si, Ge, Sn) have been proposed as fully compensated half-metallic
ferrimagnets. Such materials are of large interest for spintronics because they
combine small magnetic moment with high spin polarization over a wide
temperature range. W... | 1302.2487v2 |
2013-10-17 | Superconductivity and magnetic order in the non-centrosymmetric Half Heusler compound ErPdBi | We report superconductivity at $T_c = 1.22$ K and magnetic order at $T_N =
1.06$ K in the semi-metallic noncentrosymmetric Half Heusler compound ErPdBi.
The upper critical field, $B_{c2}$, has an unusual quasi-linear temperature
variation and reaches a value of 1.6 T for $T \rightarrow 0$. Magnetic order is
found below... | 1310.4592v1 |
2014-03-11 | Spin Dependent Lifetimes and Spin-orbit Hybridization Points in Heusler Compounds | We present an ab initio calculation of the k and spin-resolved electronic
lifetimes in the half-metallic Heusler compounds Co(2)MnSi and Co(2)FeSi. We
determine the spin-flip and spin-conserving contributions to the lifetimes and
study in detail the behavior of the lifetimes around states that are strongly
spin-mixed b... | 1403.2590v2 |
2015-03-15 | Magnetic structure of the antiferromagnetic half-Heusler compound NdBiPt | We present results of single crystal neutron diffraction experiments on the
rare-earth, half-Heusler antiferromagnet (AFM) NdBiPt. This compound exhibits
an AFM phase transition at $T_{\mathrm N}=2.18$~K with an ordered moment of
$1.78(9)$~$\mu_{\mathrm B}$ per Nd atom. The magnetic moments are aligned along
the $[001]... | 1503.04487v3 |
2015-10-21 | Titanium Nitride as a Seed Layer for Heusler Compounds | Titanium nitride (TiN) shows low resistivity at room temperature, high
thermal stability and thus has the potential to serve as seed layer in magnetic
tunnel junctions. High quality TiN thin films with regard to the
crystallographic and electrical properties were grown and characterized by
X-ray diffraction and 4-termi... | 1510.06256v3 |
2015-10-27 | Spin-resolved Fermi surface of the localized ferromagnetic Heusler compound Cu$_2$MnAl measured with spin-polarized positron annihilation | We determined the bulk electronic structure in the prototypical Heusler
compound Cu$_2$MnAl by measuring the Angular Correlation of Annihilation
Radiation (2D-ACAR) using spin-polarized positrons. To this end, a new
algorithm for reconstructing 3D densities from projections is introduced that
allows us to corroborate t... | 1510.07808v1 |
2015-11-26 | Symmetry-protected ideal Weyl semimetal in HgTe-class materials | Ideal Weyl semimetals with all Weyl nodes exactly at the Fermi level and no
coexisting trivial Fermi surfaces in the bulk, similar to graphene, could
feature deep physics such as exotic transport phenomena induced by the chiral
anomaly. Here, we show that HgTe and half-Heusler compounds, under a broad
range of in-plane... | 1511.08284v2 |
2016-10-18 | Magnetic properties of low-moment ferrimagnetic Heusler Cr2CoGa thin films grown by molecular beam epitaxy | Recently, theorists have predicted many materials with a low magnetic moment
and large spin-polarization for spintronic applications. These compounds are
predicted to form in the inverse Heusler structure, however, many of these
compounds have been found to phase segregate. In this study, ordered Cr2CoGa
thin films wer... | 1610.05808v1 |
2017-03-06 | A first-principles DFT+GW study of spin-filter and spin-gapless semiconducting Heusler compounds | Among Heusler compounds, the ones being magnetic semiconductors (also known
as spin-filter materials) are widely studied as they offer novel
functionalities in spintronic/magnetoelectronic devices. The spin-gapless
semiconductors are a special case. They possess a zero or almost-zero energy
gap in one of the two spin c... | 1703.02142v2 |
2018-06-11 | Positron annihilation spectroscopy for the pure and Niobium doped ZrCo$_2$Sn Heusler compound | We perform spin-polarized two-dimensional angular correlation of annihilation
radiation (2D-ACAR) calculations for the recently predicted ZrCo$_2$Sn-Weyl
Heusler compound within the density functional theory using the generalized
gradient approximation (GGA) and its extension GGA+U. We confirm that within
the GGA+U met... | 1806.04093v1 |
2018-11-15 | LnPd$_{2}$Sn (Ln=Sc, Y, Lu) class of Heusler alloys for topological superconductivity | Based on the first-principles electronic structure calculations and the
symmetry analysis, we predict that the topological superconductivity may occur
on the surface of the LnPd$_{2}$Sn (Ln=Sc, Y, Lu) class of Heusler alloys. The
calculated electronic band structure and topological invariant demonstrate that
the LnPd$_... | 1811.06401v1 |
2020-01-22 | Characterization of rattling in relation to thermal conductivity: ordered half-Heusler semiconductors | The factors that affect the thermal conductivity of semiconductors is a topic
of great scientific interest, especially in relation to thermoelectrics. Key
developments have been the concept of the phonon-glass-electron-crystal (PGEC)
and the related idea of rattling to achieve this. We use first principles
phonon and t... | 2001.08029v1 |
2021-07-15 | Microstructure manipulation by laser-surface remelting of a full-Heusler compound to enhance thermoelectric properties | There is an increasing reckoning that the thermoelectric performance of a
material is dependent on its microstructure. However, the
microstructure-properties relationship often remains elusive, in part due to
the complexity of the hierarchy and scales of features that influence transport
properties. Here, we focus on t... | 2107.07327v1 |
2017-05-23 | Integration of antiferromagnetic Heusler compound Ru$_2$MnGe into spintronic devices | We report on the first integration of an antiferromagnetic Heusler compound
acting as a pinning layer into magnetic tunneling junctions. The
antiferromagnet Ru$_2$MnGe is used to pin the magnetization direction of a
ferromagnetic Fe layer in MgO based thin film tunnelling magnetoresistance
stacks. The samples were prep... | 1705.08420v1 |
2019-07-09 | Magnetic instabilities in doped Fe$_2YZ$ full-Heusler thermoelectric compounds | Thermoelectricity is a promising avenue for harvesting energy but large-scale
applications are still hampered by the lack of highly-efficient low-cost
materials. Recently, Fe$_2YZ$ Heusler compounds were predicted theoretically to
be interesting candidates with large thermoelectric power factor. Here, we show
that unde... | 1907.04267v2 |
2018-08-08 | High throughput screening for spin-gapless semiconductors in quaternary Heusler compounds | Based on high throughput density functional theory calculations, we performed
systematic screening for spin-gapless semiconductors (SGSs) in quaternary
Heusler alloys XX 0 YZ (X, X 0 , and Y are transition metal elements without
Tc, and Z is one of B, Al, Ga, In, Si, Ge, Sn, Pb, P, As, Sb, and Bi).
Following the empiri... | 1808.02684v1 |
2018-12-20 | Theoretical study of the structural stability, electronic and magnetic properties of XVSb (X $=$ Fe, Ni, and Co) half-Heusler compounds | The structural, electronic and magnetic properties of half-Heusler compounds
XVSb (X $=$ Fe, Co and Ni) are investigated by using the density functional
theory with generalized gradient approximation (GGA), and Tran-Blaha modified
Becke-Johnson (TB-mBJ) exchange potential approximation. It is found that the
half-metall... | 1812.08559v1 |
2020-08-07 | Magnetoelastic and Magnetostrictive Properties of Co$_2$XAl Heusler Compounds | We present a comprehensive first principles electronic structure study of the
magnetoelastic and magnetostrictive properties in the Co-based Co$_2$XAl (X =
V, Ti, Cr, Mn, Fe) full Heusler compounds. In addition to the commonly used
total energy approach, we employ torque method to calculate the magnetoelastic
tensor el... | 2008.03005v1 |
2022-03-22 | Lattice Dynamics, Mechanical Properties, Electronic Structure and Magnetic Properties of Equiatomic Quaternary Heusler Alloys CrTiCoZ (Z =Al,Si) using first principles calculations | First principles calculations are performed to investigate the
thermodynamical stability, dynamical, mechanical, electronic and magnetic
properties of CrTiCoZ (Z= Al/Si) novel quaternary Heusler alloys. Y-type III
atomic configuration is found to be the most stable structure for both
compounds. The melting temperatures... | 2203.11858v1 |
2017-02-15 | Stability of Weyl points in magnetic half-metallic Heusler compounds | We employ {\it ab-initio} fully-relativistic electronic structure
calculations to study the stability of the Weyl points in the momentum space
within the class of the half-metallic ferromagnetic full Heusler materials, by
focusing on Co$_2$TiAl as a well-established prototype compound. Here we show
that both the number... | 1702.04558v1 |
2019-03-28 | Inducing half metallicity with alloying in Heusler Compound CoFeMnSb | First principles studies were performed in order to find out the possibility
of inducing half-metallicity in Heusler Compound CoFeMnSb, by means of alloying
it with 3d-transition metal elements. Proper alloying element is selected
through the calculations of formation energies. These calculations were tested
with diffe... | 1903.11799v1 |
2019-12-09 | Intrinsically high thermoelectric figure of merit of half-Heusler ZrRuTe | The electronic structure and thermoelectric properties of ZrRuTe-based
Half-Heusler compounds are studied using density functional theory (DFT) and
Boltzmann transport formalism. Based on rigorous computations of electron
relaxation time $\tau$ considering electron-phonon interactions and lattice
thermal conductivity $... | 1912.03883v3 |
2020-03-14 | Exceptionally large anomalous Hall effect due to anticrossing of spin-split bands in the antiferromagnetic half-Heusler compound TbPtBi | We have investigated magnetotransport properties and the topological
electronic structure of the half-Heusler compound TbPtBi. Our experiments
reveal an exceptionally large anomalous Hall effect (AHE) in the canted
antiferromagnetic state of TbPtBi with the anomalous Hall angle (AHA) reaching
~0.68-0.76, which is a few... | 2003.06688v1 |
2020-07-12 | Magnetocaloric effect in Ni2(Mn,Cu)Ga0.84Al0.16 Heusler alloys | Polycrystalline Heusler compounds Ni2Mn0.75Cu0.25Ga0.84Al0.16 with a
martensitic transition between ferromagnetic phases and
Ni2Mn0.70Cu0.30Ga0.84Al0.16 with a magnetostructural transformation were
investigated by magnetization and thermal measurements, both as a function of
temperature and magnetic field. The compound... | 2007.05899v2 |
2020-09-02 | Phase transition in the magnetocrystalline anisotropy of tetragonal Heusler alloys: Rh$_2T$Sb, $T=$ Fe, Co | This work reports on first principles calculations of the electronic and
magnetic structure of tetragonal Heusler compounds with the composition
Rh$_2$Fe$_{x}$Co$_{1-x}$Sb ($0\leq x\leq1$). It is found that the magnetic
moments increase from 2 to 3.4~$\mu_B$ and the Curie temperature decreases from
500 to 464~K with in... | 2009.00920v1 |
2020-09-07 | Strain driven emergence of topological non-triviality in YPdBi thin films | Half-Heusler compounds exhibit a remarkable variety of emergent properties
such as heavy-fermion behaviour, unconventional superconductivity and
magnetism. Several of these compounds have been predicted to host topologically
non-trivial electronic structures. Remarkably, recent theoretical studies have
indicated the po... | 2009.03018v3 |
2021-12-16 | Spin Hall Conductivity and Anomalous Hall Conductivity in Full Heusler compounds | The spin Hall conductivity (SHC) and anomalous Hall conductivity (AHC) in
more than 120 full Heusler compounds are calculated using density functional
theory in a high-throughtput way. The electronic structures are mapped to the
Wannier basis and the linear response theory is used to get the conductivity.
Our results s... | 2112.08630v1 |
2022-09-21 | Effect of Co Substitution on Ferrimagnetic Heusler compound Mn3Ga | Effect of Co substitution on Mn$_3$Ga is investigated using first-principles
study for structural and magnetic properties. Without Co, ferrimagnetic Heusler
compound Mn3Ga is in tetragonal phase. With Co substitution, depending on Co
concentration (x) Mn$_3$Ga prefers tetragonal (cubic) phase when x \leq 0.5 (x
\geq 0.... | 2209.10216v1 |
2024-03-24 | Ideal spin-polarized Weyl-half-semimetal with a single pair of Weyl points in half-Heusler compounds XCrTe (X=K, Rb) | Realizing ideal Weyl semimetal state with a single pair of Weyl points has
been a long-sought goal in the field of topological semimetals. Here, we reveal
such a state in the Cr-based half-Heusler compounds XCrTe (X=K, Rb). We show
that these materials have a half metal ground state, with Fermi level crossing
only one ... | 2403.16195v1 |
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