1. Structural and electronic properties of the spin-filter material CrVTiAl with disorder
- Author
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Arun Bansil, Michelle E. Jamer, Gregory M. Stephen, Don Heiman, Stanislaw Kaprzyk, Christopher Lane, B. Barbiellini, Laura H. Lewis, Gianina Buda, and David Graf
- Subjects
010302 applied physics ,Condensed Matter - Materials Science ,Materials science ,Condensed matter physics ,Band gap ,Rietveld refinement ,Materials Science (cond-mat.mtrl-sci) ,FOS: Physical sciences ,General Physics and Astronomy ,02 engineering and technology ,Crystal structure ,Electronic structure ,Conductivity ,021001 nanoscience & nanotechnology ,01 natural sciences ,Hall effect ,Electrical resistivity and conductivity ,Phase (matter) ,0103 physical sciences ,0210 nano-technology - Abstract
The effects of chemical disorder on the transport 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 L2\textsubscript{1} or Y phase. High temperature resistivity measurements confirm the existence of a band gap. 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 L2\textsubscript{1} disorder. 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., Accepted to Journal of Applied Physics
- Published
- 2019
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