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

Stephen, Gregory M.; Buda, Gianina; Jamer, Michelle E.; Lane, Christopher; Kaprzyk, Stanislaw; Barbiellini, Bernardo; Graf, David; Lewis, Laura H.; Bansil, Arun; Heiman, Don

doi:10.1063/1.5079749

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

Journal Article · Mon Mar 25 00:00:00 EDT 2019 · Journal of Applied Physics

DOI:https://doi.org/10.1063/1.5079749· OSTI ID:1529971

^[1]; Buda, Gianina ^[1];

^[2];

^[1]; Kaprzyk, Stanislaw ^[3];

^[4]; Graf, David ^[5]; Lewis, Laura H. ^[1]; Bansil, Arun ^[1]; Heiman, Don ^[1]

Northeastern Univ., Boston, MA (United States)
National Inst. of Standards and Technology (NIST), Gaithersburg, MD (United States). Center for Neutron Research; U. S. Naval Academy, Annapolis, MD (United States)
Northeastern Univ., Boston, MA (United States); AGH - Univ. of Science and Technology, Krakow (Poland)
Northeastern Univ., Boston, MA (United States); Lappeenranta Univ. of Technology (Finland)
Florida State Univ., Tallahassee, FL (United States). National High Magnetic Field Lab. (MagLab)

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.

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Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC02-05CH11231; FG02-07ER46352

OSTI ID:: 1529971

Alternate ID(s):: OSTI ID: 1503374

Journal Information:: Journal of Applied Physics, Vol. 125, Issue 12; ISSN 0021-8979

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 9 works

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Electrical and magnetic properties of thin films of the spin-filter material CrVTiAl Stephen, Gregory M.; Lane, Christopher; Buda, Gianina Physical Review B, Vol. 99, Issue 22 https://doi.org/10.1103/physrevb.99.224207	journal	June 2019
Electrical and magnetic properties of thin films of the spin-filter material CrVTiAl Stephen, Gregory M.; Lane, Christopher; Buda, Gianina arXiv https://doi.org/10.48550/arxiv.1906.10222	text	January 2019

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