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Title: Structural and electronic properties of the spin-filter material CrVTiAl with disorder

Abstract

The effects of chemical disorder on the electronic properties of the spin-filter material CrVTiAl are investigated experimentally and theoretically. Synchrotron X-ray diffraction experiments on bulk CrVTiAl and the associated Rietveld analysis indicate that the crystal structure consists primarily of a mixture of a partially ordered B2 phase, a fully disordered A2 phase, and a small component of an ordered L21 or Y phase. High temperature resistivity measurements confirm the existence of a bandgap. First-principles, all-electron, self-consistent electronic structure computations show that the chemically disordered A2 and B2 phases are metallic, while the spin-filter properties of the ideal Y-type phase are preserved in the presence of L21 disorder (Cr and V mixing). The Hall coefficient is found to decrease with increasing temperature, similar to the measured increase in the conductivity, indicating the presence of thermally activated semiconductor-like carriers.

Authors:
ORCiD logo [1];  [1]; ORCiD logo [2]; ORCiD logo [1];  [3]; ORCiD logo [4];  [5];  [1];  [1];  [1]
  1. Northeastern Univ., Boston, MA (United States)
  2. National Inst. of Standards and Technology (NIST), Gaithersburg, MD (United States). Center for Neutron Research; U. S. Naval Academy, Annapolis, MD (United States)
  3. Northeastern Univ., Boston, MA (United States); AGH - Univ. of Science and Technology, Krakow (Poland)
  4. Northeastern Univ., Boston, MA (United States); Lappeenranta Univ. of Technology (Finland)
  5. Florida State Univ., Tallahassee, FL (United States). National High Magnetic Field Lab. (MagLab)
Publication Date:
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1529971
Alternate Identifier(s):
OSTI ID: 1503374
Grant/Contract Number:  
AC02-05CH11231; FG02-07ER46352
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Applied Physics
Additional Journal Information:
Journal Volume: 125; Journal Issue: 12; Journal ID: ISSN 0021-8979
Publisher:
American Institute of Physics (AIP)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Stephen, Gregory M., Buda, Gianina, Jamer, Michelle E., Lane, Christopher, Kaprzyk, Stanislaw, Barbiellini, Bernardo, Graf, David, Lewis, Laura H., Bansil, Arun, and Heiman, Don. Structural and electronic properties of the spin-filter material CrVTiAl with disorder. United States: N. p., 2019. Web. doi:10.1063/1.5079749.
Stephen, Gregory M., Buda, Gianina, Jamer, Michelle E., Lane, Christopher, Kaprzyk, Stanislaw, Barbiellini, Bernardo, Graf, David, Lewis, Laura H., Bansil, Arun, & Heiman, Don. Structural and electronic properties of the spin-filter material CrVTiAl with disorder. United States. doi:10.1063/1.5079749.
Stephen, Gregory M., Buda, Gianina, Jamer, Michelle E., Lane, Christopher, Kaprzyk, Stanislaw, Barbiellini, Bernardo, Graf, David, Lewis, Laura H., Bansil, Arun, and Heiman, Don. Mon . "Structural and electronic properties of the spin-filter material CrVTiAl with disorder". United States. doi:10.1063/1.5079749. https://www.osti.gov/servlets/purl/1529971.
@article{osti_1529971,
title = {Structural and electronic properties of the spin-filter material CrVTiAl with disorder},
author = {Stephen, Gregory M. and Buda, Gianina and Jamer, Michelle E. and Lane, Christopher and Kaprzyk, Stanislaw and Barbiellini, Bernardo and Graf, David and Lewis, Laura H. and Bansil, Arun and Heiman, Don},
abstractNote = {The effects of chemical disorder on the electronic properties of the spin-filter material CrVTiAl are investigated experimentally and theoretically. Synchrotron X-ray diffraction experiments on bulk CrVTiAl and the associated Rietveld analysis indicate that the crystal structure consists primarily of a mixture of a partially ordered B2 phase, a fully disordered A2 phase, and a small component of an ordered L21 or Y phase. High temperature resistivity measurements confirm the existence of a bandgap. First-principles, all-electron, self-consistent electronic structure computations show that the chemically disordered A2 and B2 phases are metallic, while the spin-filter properties of the ideal Y-type phase are preserved in the presence of L21 disorder (Cr and V mixing). The Hall coefficient is found to decrease with increasing temperature, similar to the measured increase in the conductivity, indicating the presence of thermally activated semiconductor-like carriers.},
doi = {10.1063/1.5079749},
journal = {Journal of Applied Physics},
number = 12,
volume = 125,
place = {United States},
year = {2019},
month = {3}
}

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Works referenced in this record:

Spintronics: A Spin-Based Electronics Vision for the Future
journal, November 2001

  • Wolf, S. A.; Awschalom, D. D.; Buhrman, R. A.
  • Science, Vol. 294, Issue 5546, p. 1488-1495
  • DOI: 10.1126/science.1065389

Frontiers in spin-polarized tunneling
journal, April 2010

  • Moodera, Jagadeesh S.; Miao, Guo-Xing; Santos, Tiffany S.
  • Physics Today, Vol. 63, Issue 4
  • DOI: 10.1063/1.3397043

The phenomena of spin-filter tunnelling
journal, April 2007

  • Moodera, Jagadeesh S.; Santos, Tiffany S.; Nagahama, Taro
  • Journal of Physics: Condensed Matter, Vol. 19, Issue 16
  • DOI: 10.1088/0953-8984/19/16/165202

Magnetic tunnel junctions with an equiatomic quaternary CoFeMnSi Heusler alloy electrode
journal, January 2018

  • Bainsla, Lakhan; Suzuki, Kazuya Z.; Tsujikawa, Masahito
  • Applied Physics Letters, Vol. 112, Issue 5
  • DOI: 10.1063/1.5002763

Variation of the electron-spin polarization in EuSe tunnel junctions from zero to near 100% in a magnetic field
journal, February 1993


Electron-Spin Polarization in Tunnel Junctions in Zero Applied Field with Ferromagnetic EuS Barriers
journal, August 1988


Field-free, spin-current control of magnetization in non-collinear chiral antiferromagnets
journal, December 2016

  • Fujita, Hiroyuki
  • physica status solidi (RRL) - Rapid Research Letters, Vol. 11, Issue 4
  • DOI: 10.1002/pssr.201600360

A proposal for an alternative class of spin filter materials: Hybridization-induced high- T C ferromagnetic semiconductors CoVXAl (X = Ti, Zr, Hf)
journal, September 2013

  • Galanakis, I.; Özdoğan, K.; Şaşıoğlu, E.
  • Applied Physics Letters, Vol. 103, Issue 14
  • DOI: 10.1063/1.4823820

Slater-Pauling behavior in LiMgPdSn-type multifunctional quaternary Heusler materials: Half-metallicity, spin-gapless and magnetic semiconductors
journal, May 2013

  • Özdoğan, K.; Şaşıoğlu, E.; Galanakis, I.
  • Journal of Applied Physics, Vol. 113, Issue 19
  • DOI: 10.1063/1.4805063

Synthesis of low-moment CrVTiAl: A potential room temperature spin filter
journal, December 2016

  • Stephen, G. M.; McDonald, I.; Lejeune, B.
  • Applied Physics Letters, Vol. 109, Issue 24
  • DOI: 10.1063/1.4971826

Competing magnetic and spin-gapless semiconducting behavior in fully compensated ferrimagnetic CrVTiAl: Theory and experiment
journal, February 2018


Magnetic and transport properties of Mn 2 CoAl oriented films
journal, September 2013

  • Jamer, Michelle E.; Assaf, Badih A.; Devakul, Trithep
  • Applied Physics Letters, Vol. 103, Issue 14
  • DOI: 10.1063/1.4823601

Equiatomic quaternary Heusler alloys: A material perspective for spintronic applications
journal, September 2016

  • Bainsla, Lakhan; Suresh, K. G.
  • Applied Physics Reviews, Vol. 3, Issue 3
  • DOI: 10.1063/1.4959093

Electron momentum densities in disordered muffin-tin alloys
journal, April 1981


Electronic structure and magnetism of Fe 3 x V x X ( X = Si , Ga, and Al) alloys by the KKR-CPA method
journal, November 1999


Modern Band Theory of Disordered Alloys: Basic Concepts Including a Discussion of Momentum Densities
journal, January 1993


Ordering tendencies and electronic properties in quaternary Heusler derivatives
journal, October 2017


Self-interaction correction to density-functional approximations for many-electron systems
journal, May 1981


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

High-T C fully compensated ferrimagnetic semiconductors as spin-filter materials: the case of CrVXAl (X = Ti, Zr, Hf) Heusler compounds
journal, February 2014


Recent advances in magnetic structure determination by neutron powder diffraction
journal, October 1993


Stress, strain and technical magnetic properties in `exchange-spring' Nd 2 Fe 14 B + α-Fe nanocomposite magnets
journal, February 2001

  • Lewis, L. H.; Moodenbaugh, A. R.; Welch, D. O.
  • Journal of Physics D: Applied Physics, Vol. 34, Issue 5
  • DOI: 10.1088/0022-3727/34/5/313

Analysis of L21-ordering in full-Heusler Co2FeSi alloy thin films formed by rapid thermal annealing
journal, April 2009

  • Takamura, Yota; Nakane, Ryosho; Sugahara, Satoshi
  • Journal of Applied Physics, Vol. 105, Issue 7
  • DOI: 10.1063/1.3075989

    Works referencing / citing this record:

    Electrical and magnetic properties of thin films of the spin-filter material CrVTiAl
    journal, June 2019


    Electrical and magnetic properties of thin films of the spin-filter material CrVTiAl
    journal, June 2019