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 L 21 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 L 21 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.
- Publication:
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Journal of Applied Physics
- Pub Date:
- March 2019
- DOI:
- 10.1063/1.5079749
- arXiv:
- arXiv:1903.05004
- Bibcode:
- 2019JAP...125l3903S
- Keywords:
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- Condensed Matter - Materials Science
- E-Print:
- Accepted to Journal of Applied Physics