skip to main content
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Computational investigation of half-Heusler compounds for spintronics applications

Abstract

We present first-principles density functional calculations of the electronic structure, magnetism, and structural stability of 378 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 gap” in the density of states (i.e., a gap or pseudogap after nine states in the three atom primitive cell) in at least one spin channel is a common feature in half-Heusler compounds. We find that the presence of such a gap at the Fermi energy in one or both spin channels contributes significantly to the stability of a half-Heusler compound. We calculate the formation energy of each compound and systematically investigate its stability against all other phases in the open quantum materials database (OQMD). Here, we represent the thermodynamic phase stability of each compound as its distance from the convex hull of stable phases in the respective chemical space and show that the hull distance of a compound is a good measure of the likelihood of its experimental synthesis. We find low formation energies and mostly correspondingly low hull distances for compounds with X= Co, Rh, or N, Y= Timore » or V, and Z= P, As, Sb, or Si. We identify 26 18-electron semiconductors, 45 half-metals, and 34 near half-metals with negative formation energy that follow the Slater-Pauling rule of three electrons per atom. Our calculations predict several new, as-yet unknown, thermodynamically stable phases, which merit further experimental exploration—RuVAs, CoVGe, FeVAs in the half-Heusler structure, and NiScAs, RuVP, RhTiP in the orthorhombic MgSrSi-type structure. Further, two interesting zero-moment half-metals, CrMnAs and MnCrAs, are calculated to have negative formation energy. In addition, our calculations predict a number of hitherto unreported semiconducting (e.g., CoVSn and RhVGe), half-metallic (e.g., RhVSb), and near half-metallic (e.g., CoFeSb and CoVP) half-Heusler compounds to lie close to the respective convex hull of stable phases, and thus may be experimentally realized under suitable synthesis conditions, resulting in potential candidates for various semiconducting and spintronics applications.« less

Authors:
 [1];  [2];  [3];  [1];  [3];  [3];  [2];  [1];  [3]
  1. Univ. of Virginia, Charlottesville, VA (United States)
  2. Northwestern Univ., Evanston, IL (United States)
  3. Univ. of Alabama, Tuscaloosa, AL (United States)
Publication Date:
Research Org.:
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1544409
Alternate Identifier(s):
OSTI ID: 1339008
Grant/Contract Number:  
AC02-05CH11231
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 95; Journal Issue: 2; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Ma, Jianhua, Hegde, Vinay I., Munira, Kamaram, Xie, Yunkun, Keshavarz, Sahar, Mildebrath, David T., Wolverton, C., Ghosh, Avik W., and Butler, W. H. Computational investigation of half-Heusler compounds for spintronics applications. United States: N. p., 2017. Web. doi:10.1103/PhysRevB.95.024411.
Ma, Jianhua, Hegde, Vinay I., Munira, Kamaram, Xie, Yunkun, Keshavarz, Sahar, Mildebrath, David T., Wolverton, C., Ghosh, Avik W., & Butler, W. H. Computational investigation of half-Heusler compounds for spintronics applications. United States. doi:10.1103/PhysRevB.95.024411.
Ma, Jianhua, Hegde, Vinay I., Munira, Kamaram, Xie, Yunkun, Keshavarz, Sahar, Mildebrath, David T., Wolverton, C., Ghosh, Avik W., and Butler, W. H. Wed . "Computational investigation of half-Heusler compounds for spintronics applications". United States. doi:10.1103/PhysRevB.95.024411. https://www.osti.gov/servlets/purl/1544409.
@article{osti_1544409,
title = {Computational investigation of half-Heusler compounds for spintronics applications},
author = {Ma, Jianhua and Hegde, Vinay I. and Munira, Kamaram and Xie, Yunkun and Keshavarz, Sahar and Mildebrath, David T. and Wolverton, C. and Ghosh, Avik W. and Butler, W. H.},
abstractNote = {We present first-principles density functional calculations of the electronic structure, magnetism, and structural stability of 378 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 gap” in the density of states (i.e., a gap or pseudogap after nine states in the three atom primitive cell) in at least one spin channel is a common feature in half-Heusler compounds. We find that the presence of such a gap at the Fermi energy in one or both spin channels contributes significantly to the stability of a half-Heusler compound. We calculate the formation energy of each compound and systematically investigate its stability against all other phases in the open quantum materials database (OQMD). Here, we represent the thermodynamic phase stability of each compound as its distance from the convex hull of stable phases in the respective chemical space and show that the hull distance of a compound is a good measure of the likelihood of its experimental synthesis. We find low formation energies and mostly correspondingly low hull distances for compounds with X= Co, Rh, or N, Y= Ti or V, and Z= P, As, Sb, or Si. We identify 26 18-electron semiconductors, 45 half-metals, and 34 near half-metals with negative formation energy that follow the Slater-Pauling rule of three electrons per atom. Our calculations predict several new, as-yet unknown, thermodynamically stable phases, which merit further experimental exploration—RuVAs, CoVGe, FeVAs in the half-Heusler structure, and NiScAs, RuVP, RhTiP in the orthorhombic MgSrSi-type structure. Further, two interesting zero-moment half-metals, CrMnAs and MnCrAs, are calculated to have negative formation energy. In addition, our calculations predict a number of hitherto unreported semiconducting (e.g., CoVSn and RhVGe), half-metallic (e.g., RhVSb), and near half-metallic (e.g., CoFeSb and CoVP) half-Heusler compounds to lie close to the respective convex hull of stable phases, and thus may be experimentally realized under suitable synthesis conditions, resulting in potential candidates for various semiconducting and spintronics applications.},
doi = {10.1103/PhysRevB.95.024411},
journal = {Physical Review B},
number = 2,
volume = 95,
place = {United States},
year = {2017},
month = {1}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record

Citation Metrics:
Cited by: 1 work
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

Allabogdanite, (Fe,Ni) 2 P, a new mineral from the Onello meteorite: The occurrence and crystal structure
journal, August 2002

  • Britvin, Sergey N.; Rudashevsky, Nikolay S.; Krivovichev, Sergey V.
  • American Mineralogist, Vol. 87, Issue 8-9
  • DOI: 10.2138/am-2002-8-924

New Class of Materials: Half-Metallic Ferromagnets
journal, June 1983


Projector augmented-wave method
journal, December 1994


Magneto-optical properties of metallic ferromagnetic materials
journal, August 1983

  • Buschow, K. H. J.; van Engen, P. G.; Jongebreur, R.
  • Journal of Magnetism and Magnetic Materials, Vol. 38, Issue 1, p. 1-22
  • DOI: 10.1016/0304-8853(83)90097-5

The high temperature orthorhombic ⇄ hexagonal phase transformation of FeMnP
journal, October 1987


The crystal structure of TiFeSi and related compounds
journal, June 1970

  • Jeitschko, W.
  • Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, Vol. 26, Issue 6
  • DOI: 10.1107/S0567740870003163

Half-metallic L21 structures with (001) planar insertions
journal, April 2008

  • Culbert, C. A.; Williams, M.; Chshiev, M.
  • Journal of Applied Physics, Vol. 103, Issue 7
  • DOI: 10.1063/1.2833303

Crystal and magnetic structure of the NiMn1−tTitGe system
journal, July 1981


Magnetic properties of heusler type alloys M2XSn (M = Fe, Co or Ni, X = Ti or V)
journal, January 1972


Sc–Sc Bonding in the New Ternary Phosphide ScNiP
journal, May 1998

  • Kleinke, Holger; Franzen, Hugo F.
  • Journal of Solid State Chemistry, Vol. 137, Issue 2
  • DOI: 10.1006/jssc.1997.7704

Structure and magnetism in the polymorphous MnFeAs
journal, April 2001


Magnetic and magneto-optical properties of heusler alloys based on aluminium and gallium
journal, November 1981


Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis
journal, August 1980

  • Vosko, S. H.; Wilk, L.; Nusair, M.
  • Canadian Journal of Physics, Vol. 58, Issue 8
  • DOI: 10.1139/p80-159

Magnetische Messungen anHeusler-Phasen Co2 XY
journal, January 1976


Magnetic properties of the intermetallic compounds MM’X(M=Cr,Mn, M’=Ru,Rh,Pd, and X=P,As)
journal, April 1991

  • Kanomata, T.; Kawashima, T.; Utsugi, H.
  • Journal of Applied Physics, Vol. 69, Issue 8
  • DOI: 10.1063/1.348281

Magnetic and crystallographic properties of ternary manganese silicides with ordered Co2P structure
journal, November 1973


Switching Distributions for Perpendicular Spin-Torque Devices Within the Macrospin Approximation
journal, December 2012


Atomic and magnetic structure of the heusler alloys NiMnSb and CoMnSb
journal, January 1972

  • Szytuła, A.; Dimitrijević, Ž.; Todorović, J.
  • Physica Status Solidi (a), Vol. 9, Issue 1
  • DOI: 10.1002/pssa.2210090109

Half-Heusler topological insulators: A first-principles study with the Tran-Blaha modified Becke-Johnson density functional
journal, December 2010


Crystal and magnetic structure of the CoMn1−xTixSi system
journal, August 1983


Strukturelle �berg�nge zwischen Phosphiden, Arseniden und Arsenophosphiden der ZusammensetzungM 2P,M 2As undM 2(P1?xAsx)
journal, January 1971

  • Nylund, Anna; Roger, A.; Senateur, J. P.
  • Monatshefte f�r Chemie, Vol. 102, Issue 5
  • DOI: 10.1007/BF00917216

Basics and prospective of magnetic Heusler compounds
journal, April 2015

  • Felser, Claudia; Wollmann, Lukas; Chadov, Stanislav
  • APL Materials, Vol. 3, Issue 4
  • DOI: 10.1063/1.4917387

Influence of cobalt vacancies and nickel substitution on the magnetic properties of TiCo2Sn Heusler-type compound
journal, November 1993

  • Pierre, J.; Skolozdra, R. V.; Stadnyk, Yu. V.
  • Journal of Magnetism and Magnetic Materials, Vol. 128, Issue 1-2
  • DOI: 10.1016/0304-8853(93)90861-U

Crystal and magnetic structure of CoxNi1-xMnGe system
journal, June 1982


The Cu2Sb and related structures
journal, January 1985


Effect of hydrostatic pressure on the magnetic transition temperatures of MnRhAs
journal, September 1987


Magnetic Properties of Cl b Compounds; CoVSb, CoTiSb and NiTiSb
journal, January 1972

  • Terada, Michiko; Endo, Keizo; Fujita, Yūkō
  • Journal of the Physical Society of Japan, Vol. 32, Issue 1
  • DOI: 10.1143/JPSJ.32.91

On the crystal structure and magnetic properties of MnNiGe
journal, July 1985


Electronic Structure of Alloys
journal, June 1937


The Nature of the Interatomic Forces in Metals
journal, December 1938


Crystal, electronic structure and electronic transport properties of the Ti1−xVxNiSn (х=0–0.10) solid solutions
journal, December 2010


Propriétés magéhtiques de MnRhAs. Etude de la transition antiferro-ferromagnétique
journal, July 1984

  • Chenevier, B.; Fruchart, D.; Bacmann, M.
  • Physica Status Solidi (a), Vol. 84, Issue 1
  • DOI: 10.1002/pssa.2210840125

Effect of Ti substitution on the thermoelectric properties of (Zr,Hf)NiSn half-Heusler compounds
journal, February 2005

  • Sakurada, S.; Shutoh, N.
  • Applied Physics Letters, Vol. 86, Issue 8
  • DOI: 10.1063/1.1868063

Atomic and magnetic order in the weak ferromagnet CoVSb: is it a half-metallic ferromagnet?
journal, August 2005


Pressure effect on the magnetic transition temperatures and thermal expansion in chromium ternary pnictides CrMAs (M = Ni, Rh)
journal, October 1995

  • Ohta, Satoru; Kaneko, Takejiro; Yoshida, Hajime
  • Journal of Magnetism and Magnetic Materials, Vol. 150, Issue 2
  • DOI: 10.1016/0304-8853(95)00275-8

X-Ray Investigations of Mn3P, Mn2P, and Ni2P.
journal, January 1962


High-pressure synthesis and magnetic properties of MMnSb (M = Ti, V, Cr) with nickel-indium (Ni2In) type structures
journal, February 1984

  • Noda, Y.; Shimada, M.; Koizumi, M.
  • Inorganic Chemistry, Vol. 23, Issue 5
  • DOI: 10.1021/ic00173a031

Magnetic Properties of RhMnSi and CoTiSi
journal, March 1984

  • Bażela-Wróbel, W.; Szytula, A.; Leciejewicz, J.
  • Physica Status Solidi (a), Vol. 82, Issue 1
  • DOI: 10.1002/pssa.2210820124

The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies
journal, December 2015


Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996


Magnetic properties and magneto-optical spectroscopy of Heusler alloys based on transition metals and Sn
journal, January 1983

  • van Engen, P. G.; Buschow, K. H. J.; Erman, M.
  • Journal of Magnetism and Magnetic Materials, Vol. 30, Issue 3
  • DOI: 10.1016/0304-8853(83)90079-3

Ternary transition metal antimonides and bismuthides with MgAgAs-type and filled NiAs-type structure
journal, May 1997

  • Evers, Christoph B.H.; Richter, Carolin G.; Hartjes, Klaus
  • Journal of Alloys and Compounds, Vol. 252, Issue 1-2, p. 93-97
  • DOI: 10.1016/S0925-8388(96)02616-3

Investigation of Co2FeSi: The Heusler compound with highest Curie temperature and magnetic moment
journal, January 2006

  • Wurmehl, Sabine; Fecher, Gerhard H.; Kandpal, Hem Chandra
  • Applied Physics Letters, Vol. 88, Issue 3
  • DOI: 10.1063/1.2166205

Ternary Transition Metal Arsenides with the anti-PbCl2 Structure.
journal, January 1967


Ab initio study of structural and magnetic properties of Si-doped Fe 2 P
journal, August 2010


Structural dependence of some physical properties of the Ni2MnGe Heusler alloy films
journal, March 2006

  • Oksenenko, V. A.; Trofimova, L. N.; Petrov, Yu. N.
  • Journal of Applied Physics, Vol. 99, Issue 6
  • DOI: 10.1063/1.2180434

Simplified LCAO Method for the Periodic Potential Problem
journal, June 1954


Neutron diffraction study on the Heusler compound Co1.50TiSn and its nitrogenation products
journal, December 2002


Chemical order and magnetic properties of the Ni2−xMnSb system
journal, May 1984


A 57Fe Mössbauer study of Mn2P
journal, August 1986

  • Häggström, L.; Sjöström, J.; Ericsson, T.
  • Journal of Magnetism and Magnetic Materials, Vol. 60, Issue 2-3
  • DOI: 10.1016/0304-8853(86)90097-1

High pressure Mn2As with Fe2P-type structure
journal, June 1972

  • Jeitschko, W.; Johnson, V.
  • Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, Vol. 28, Issue 6
  • DOI: 10.1107/S0567740872005345

Multi-temperature synchrotron PXRD and physical properties study of half-Heusler TiCoSb
journal, January 2010

  • Skovsen, I.; Bjerg, L.; Christensen, M.
  • Dalton Transactions, Vol. 39, Issue 42
  • DOI: 10.1039/c0dt00742k

Crystal structure of compounds and phase equilibria in ternary systems of two transition metals and silicon
journal, January 1964

  • Gladyshevskii, E. I.
  • Soviet Powder Metallurgy and Metal Ceramics, Vol. 1, Issue 4
  • DOI: 10.1007/BF00774430

Etude cristallographique et magnetique de la solution solide (Fe1−xRux)MnAs
journal, July 1975


Structure and properties of CoMnSb in the context of half-metallic ferromagnetism
journal, October 2006


Andreyivanovite: A second new phosphide from the Kaidun meteorite
journal, August 2008

  • Zolensky, M.; Gounelle, M.; Mikouchi, T.
  • American Mineralogist, Vol. 93, Issue 8-9
  • DOI: 10.2138/am.2008.2614

Spin-polarized tunneling in a half-metallic ferromagnet
journal, December 1999

  • Tanaka, Clifford T.; Nowak, Janusz; Moodera, Jagadeesh S.
  • Journal of Applied Physics, Vol. 86, Issue 11
  • DOI: 10.1063/1.371678

Structure du phosphure de cobalt et de manganèse
journal, November 1980

  • Fruchart, D.; Backmann, M.; Chaudouet, P.
  • Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, Vol. 36, Issue 11
  • DOI: 10.1107/S0567740880009910

Electronic phase diagram of the XTZ (X=Fe, Co, Ni; T=Ti, V, Zr, Nb, Mn; Z=Sn, Sb) semi-Heusler compounds
journal, January 2000


Anisotropy in layered half-metallic Heusler alloy superlattices
journal, January 2016

  • Azadani, Javad G.; Munira, Kamaram; Romero, Jonathon
  • Journal of Applied Physics, Vol. 119, Issue 4
  • DOI: 10.1063/1.4940878

From nonmagnetic semiconductor to itinerant ferromagnet in the TiNiSn-TiCoSn series
journal, May 1994

  • Pierre, J.; Skolozdra, R. V.; Gorelenko, Yu. K.
  • Journal of Magnetism and Magnetic Materials, Vol. 134, Issue 1
  • DOI: 10.1016/0304-8853(94)90078-7

Structural, mechanical, thermodynamics properties and phase transition of FeVSb
journal, August 2011


Curie temperatures of zinc-blende half-metallic ferromagnets
journal, June 2003


Improved tetrahedron method for Brillouin-zone integrations
journal, June 1994


Structural, elastic properties and pressure-induced phase transition of ‘half-Heusler’ alloy CoVSb
journal, February 2011


Nouveaux composes ternaires MM'P et MM'As interactions metalliques et structures
journal, August 1972


Electronic and Magnetic Properties of X 2 Mn 1- x V x Si (X=Fe and Co)
journal, May 1994

  • Fujii, Shinpei; Ishida, Shoji; Asano, Setsuro
  • Journal of the Physical Society of Japan, Vol. 63, Issue 5
  • DOI: 10.1143/JPSJ.63.1881

Metamagnetism of CoMnSi
journal, May 1976

  • Bińczycka, H.; Szytuła, A.; Todorović, J.
  • Physica Status Solidi (a), Vol. 35, Issue 1
  • DOI: 10.1002/pssa.2210350161

Synthesis and characterization of Fe-Ti-Sb intermetallic compounds: Discovery of a new Slater-Pauling phase
journal, March 2016


Etude structurale et magnétique de CoMnP3)
journal, February 1980

  • Fruchart, D.; Martin-Farrugia, C.; Rouault, A.
  • Physica Status Solidi (a), Vol. 57, Issue 2
  • DOI: 10.1002/pssa.2210570225

Structural instability in new magnetic heusler compounds
journal, January 1976


Properties of Heusler-type materials Fe2TSi and FeCo2Si
journal, March 1977


Heusler-alloy films for spintronic devices
journal, March 2013


Electronic structure and magnetic, electrical and optical properties of ferromagnetic Heusler alloys
journal, December 1987

  • Otto, M. J.; Feil, H.; Van Woerden, R. A. M.
  • Journal of Magnetism and Magnetic Materials, Vol. 70, Issue 1-3
  • DOI: 10.1016/0304-8853(87)90354-4

Magnetic and crystallographic properties of several C1b type Heusler compounds
journal, August 1984

  • Helmholdt, R. B.; de Groot, R. A.; Mueller, F. M.
  • Journal of Magnetism and Magnetic Materials, Vol. 43, Issue 3
  • DOI: 10.1016/0304-8853(84)90075-1

High-Throughput Computational Screening of New Li-Ion Battery Anode Materials
journal, September 2012

  • Kirklin, Scott; Meredig, Bryce; Wolverton, Chris
  • Advanced Energy Materials, Vol. 3, Issue 2
  • DOI: 10.1002/aenm.201200593

First-Principles Determination of Multicomponent Hydride Phase Diagrams: Application to the Li-Mg-N-H System
journal, September 2007

  • R. Akbarzadeh, A.; Ozoliņš, V.; Wolverton, C.
  • Advanced Materials, Vol. 19, Issue 20
  • DOI: 10.1002/adma.200700843

Some phases in ternary alloys of titanium, zirconium, and hafnium, with a MgAgAs or AlCu2Mn type structure
journal, February 1975


Magnetization and neutron diffraction studies on FeCrP
journal, August 2004

  • Kumar, Sudhish; Krishnamurthy, Anjali; Srivastava, Bipin K.
  • Pramana, Vol. 63, Issue 2
  • DOI: 10.1007/BF02704973

Properties on request in semi-Heusler phases
journal, November 1997


Tunable multifunctional topological insulators in ternary Heusler compounds
journal, May 2010

  • Chadov, Stanislav; Qi, Xiaoliang; Kübler, Jürgen
  • Nature Materials, Vol. 9, Issue 7
  • DOI: 10.1038/nmat2770

VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data
journal, October 2011


Phase equilibria in the V-Ni-Sb system
journal, June 2007


Alloying behavior of zirconium, hafnium and the actinides in several series of isostructural compounds
journal, February 1974


Evolution structurale des phosphures, arséniures et arséniophosphures M2P, M2As et M2(P1−xAsx)
journal, January 1972


Origin and properties of the gap in the half-ferromagnetic Heusler alloys
journal, October 2002


Magnetic and transport properties of Co2MnSnxSb1−x Heusler alloys
journal, January 2009

  • Paudel, Moti R.; Wolfe, Christopher S.; Patton, Heather
  • Journal of Applied Physics, Vol. 105, Issue 1
  • DOI: 10.1063/1.3054291

Magneto-optical and magnetic properties of some solid solutions of C1b-Heusler compounds
journal, February 1994

  • van Engelen, P. P. J.; de Mooij, D. B.; Wijngaard, J. H.
  • Journal of Magnetism and Magnetic Materials, Vol. 130, Issue 1-3
  • DOI: 10.1016/0304-8853(94)90680-7

The Crystal Structure of ZrFeP and Related Compounds.
journal, January 1966


Solid solutions in the (Fe1.22Sb)1-x(Fe1.68Sn)x system
journal, April 1982


Magnetization studies of the Heusler alloys, Ni 2 Mn x Ti 1− x Sn, Ni 2 Mn x V 1− x Sn, and Ni 2 Mn x Cr 1− x Sn
journal, November 1976

  • Campbell, C. C. M.; Stager, C. V.
  • Canadian Journal of Physics, Vol. 54, Issue 21
  • DOI: 10.1139/p76-261

Engineering half-Heusler thermoelectric materials using Zintl chemistry
journal, May 2016

  • Zeier, Wolfgang G.; Schmitt, Jennifer; Hautier, Geoffroy
  • Nature Reviews Materials, Vol. 1, Issue 6
  • DOI: 10.1038/natrevmats.2016.32

Etude cristallographique de CoMnSb. Relation avec la structure de type C1b
journal, September 1972


Magnetic ordering in the system Co2-xNix TiSn studied by 119Sn-Mössbauer spectroscopy and magnetization measurements
journal, March 1978


Thermal expansion of MnRhP
journal, December 1998


Half-Heusler Semiconductors as Piezoelectrics
journal, July 2012


Future perspectives for spintronic devices
journal, April 2014


Crystal and magnetic structure of NiMnGe
journal, December 1976

  • Bazela, W.; Szytuła, A.; Todorović, J.
  • Physica Status Solidi (a), Vol. 38, Issue 2
  • DOI: 10.1002/pssa.2210380235

Ternary transition metal germanides and arsenides
journal, September 1973


Magnetic hyperfine field in the Heusler alloys Co2YZ (Y = V, Nb, Ta, Cr; Z = Al, Ga)
journal, November 1996


Physical properties of the weak itinerant ferromagnet CoVSb and related semi-Heusler compounds
journal, August 1998


New High- T c Half-Heusler Ferromagnets NiMnZ (Z=Si, P, Ge, As)
journal, January 2008

  • An Dinh, Van; Sato, Kazunori; Katayama-Yoshida, Hiroshi
  • Journal of the Physical Society of Japan, Vol. 77, Issue 1
  • DOI: 10.1143/JPSJ.77.014705

Special points for Brillouin-zone integrations
journal, June 1976

  • Monkhorst, Hendrik J.; Pack, James D.
  • Physical Review B, Vol. 13, Issue 12, p. 5188-5192
  • DOI: 10.1103/PhysRevB.13.5188

Florenskyite, FeTiP, a new phosphide from the Kaidun meteorite
journal, July 2000

  • Ivanov, Andrei V.; Zolensky, Michael E.; Saito, Akihiro
  • American Mineralogist, Vol. 85, Issue 7-8
  • DOI: 10.2138/am-2000-0725

XXXV. The Crystal Structure of Fe2P, Fe2N, Fe3N and FeB
journal, January 1930

  • Hendricks, Sterling B.; Kosting, Peter R.
  • Zeitschrift für Kristallographie - Crystalline Materials, Vol. 74, Issue 1-6
  • DOI: 10.1524/zkri.1930.74.1.511

New and Old Concepts in Thermoelectric Materials
journal, November 2009

  • Sootsman, Joseph R.; Chung, Duck Young; Kanatzidis, Mercouri G.
  • Angewandte Chemie International Edition, Vol. 48, Issue 46, p. 8616-8639
  • DOI: 10.1002/anie.200900598

Crystal structure, electrical transport properties and electronic structure of the VFe1−xCuxSb solid solution
journal, October 2005


Magnetic Susceptibilities of Cl b Compounds CoVSb and CoTiSb
journal, October 1970

  • Terada, Michiko; Endo, Keizo; Fujita, Yūkō
  • Journal of the Physical Society of Japan, Vol. 29, Issue 4
  • DOI: 10.1143/JPSJ.29.1091

Synthesis of high-pressure phases of vanadium-cobalt-antimony (VCoSb) and vanadium-iron-antimony (VFeSb) with a dinickel-indium (Ni2In) (B82) type structure
journal, November 1979

  • Noda, Yukio; Shimada, Masahiko; Koizumi, Mitsue
  • Inorganic Chemistry, Vol. 18, Issue 11
  • DOI: 10.1021/ic50201a060

Atomic disorder and magnetic property in Co-based Heusler alloys Co2MnZ (Z=Si, Ge, Sn)
journal, May 2009


Materials Design and Discovery with High-Throughput Density Functional Theory: The Open Quantum Materials Database (OQMD)
journal, September 2013


Magnetic and crystallographic properties of the system Fe2P1−xAsx
journal, July 1973


I-II-V half-Heusler compounds for optoelectronics: Ab initio calculations
journal, February 2010


On the Magnetic Properties of the Compound Mn 2 As
journal, October 1960

  • Yuzuri, Motoyoshi; Yamada, Motohiko
  • Journal of the Physical Society of Japan, Vol. 15, Issue 10
  • DOI: 10.1143/JPSJ.15.1845

A ternary alloy with PbCl2-type structure: TiNiSi(E)
journal, May 1965


The TiNiSi Family of Compounds:  Structure and Bonding
journal, November 1998

  • Landrum, Gregory A.; Hoffmann, Roald; Evers, Jürgen
  • Inorganic Chemistry, Vol. 37, Issue 22
  • DOI: 10.1021/ic980223e

Dilatometric and DDC measurements of NiMnGe1−xSix and NiMn1−tTitGe Systems
journal, April 1985

  • Mavrodiev, G.; Koneska, S.; Szytuła, A.
  • physica status solidi (a), Vol. 88, Issue 2
  • DOI: 10.1002/pssa.2210880243

Half metallic NiMnSb-based spin-valve structures
journal, March 1998

  • Hordequin, C.; Nozières, J. P.; Pierre, J.
  • Journal of Magnetism and Magnetic Materials, Vol. 183, Issue 1-2
  • DOI: 10.1016/S0304-8853(97)01072-X

Electronic structure and Slater–Pauling behaviour in half-metallic Heusler alloys calculated from first principles
journal, February 2006

  • Galanakis, I.; Mavropoulos, Ph; Dederichs, P. H.
  • Journal of Physics D: Applied Physics, Vol. 39, Issue 5
  • DOI: 10.1088/0022-3727/39/5/S01

Covalent bonding and the nature of band gaps in some half-Heusler compounds
journal, February 2006

  • Kandpal, Hem Chandra; Felser, Claudia; Seshadri, Ram
  • Journal of Physics D: Applied Physics, Vol. 39, Issue 5
  • DOI: 10.1088/0022-3727/39/5/S02

Diffusionless orthorhombic to hexagonal transitions in ternary silicides and germanides
journal, May 1975


Epitaxial NiMnSb films on GaAs(001)
journal, December 2000

  • Van Roy, W.; De Boeck, J.; Brijs, B.
  • Applied Physics Letters, Vol. 77, Issue 25
  • DOI: 10.1063/1.1334356

Crystallographic and Magnetic Properties of Solid Solutions of the Phosphides M 2 P, M = Cr, Mn, Fe, Co, and Ni
journal, March 1969

  • Fruchart, R.; Roger, A.; Senateur, J. P.
  • Journal of Applied Physics, Vol. 40, Issue 3
  • DOI: 10.1063/1.1657617

MAGNETIC PROPERTIES OF Co-HEUSLER AND RELATED MIXED ALLOYS
journal, December 1988


Polarized Neutron Diffraction Study of Fe 2 P Single Crystal
journal, May 1979

  • Fujii, Hironobu; Komura, Shigehiro; Takeda, Takayoshi
  • Journal of the Physical Society of Japan, Vol. 46, Issue 5
  • DOI: 10.1143/JPSJ.46.1616

Magnetic and chemical order in Heusler alloys containing cobalt and titanium
journal, October 1973


    Works referencing / citing this record:

    From materials to systems: a multiscale analysis of nanomagnetic switching
    journal, September 2017

    • Xie, Yunkun; Ma, Jianhua; Ganguly, Samiran
    • Journal of Computational Electronics, Vol. 16, Issue 4
    • DOI: 10.1007/s10825-017-1054-z

    Recent advances and applications of machine learning in solid-state materials science
    journal, August 2019

    • Schmidt, Jonathan; Marques, Mário R. G.; Botti, Silvana
    • npj Computational Materials, Vol. 5, Issue 1
    • DOI: 10.1038/s41524-019-0221-0

    Physical, electronic and thermoelectric properties of [001] surfaces of TiCoSb half-Heusler compound
    journal, May 2019


    From materials to systems: a multiscale analysis of nanomagnetic switching
    journal, September 2017

    • Xie, Yunkun; Ma, Jianhua; Ganguly, Samiran
    • Journal of Computational Electronics, Vol. 16, Issue 4
    • DOI: 10.1007/s10825-017-1054-z

    Recent advances and applications of machine learning in solid-state materials science
    journal, August 2019

    • Schmidt, Jonathan; Marques, Mário R. G.; Botti, Silvana
    • npj Computational Materials, Vol. 5, Issue 1
    • DOI: 10.1038/s41524-019-0221-0

    Physical, electronic and thermoelectric properties of [001] surfaces of TiCoSb half-Heusler compound
    journal, May 2019