First-Principles Study of Magnetism and Half-Metallic Properties for the Quaternary Heusler Alloys CoRhYZ (Y = Sc, Ti, Cr, and Mn; Z = Al, Si, and P)

First-Principles Study of Magnetism and Half-Metallic Properties for the Quaternary Heusler... A first-principles approach based on the density functional theory (DFT) was used to study the electronic structure and magnetism of CoRhYZ (Y = Sc, Ti, Cr, and Mn; Z = Al, Si, and P). The results showed that among these compounds CoRhCrSi CoRhMnSi, CoRhCrAl and CoRhTiAl were true half-metallic ferromagnets in the stable structure of Y I Half metallicity mainly originated from d–d and covalent hybridizations between transition metals. The total magnetic moment of the four half-metallic compounds follows the conventional Slater–Pauling rule: M tot = Z tot − 24 Half metallicity is quite robust against hydrostatic strain and CoRhCrSi, CoRhMnSi, CoRhTiAl, and CoRhCrAl compounds maintained the half-metallic character at ranges of 5.47–6.02, 5.56–6.02, 5.98–6.54, and 5.48–5.92 Å, respectively. Therefore, these compounds were ideal candidates for spintronic applications. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Journal of Superconductivity and Novel Magnetism Springer Journals

First-Principles Study of Magnetism and Half-Metallic Properties for the Quaternary Heusler Alloys CoRhYZ (Y = Sc, Ti, Cr, and Mn; Z = Al, Si, and P)

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Publisher
Springer US
Copyright
Copyright © 2017 by Springer Science+Business Media New York
Subject
Physics; Strongly Correlated Systems, Superconductivity; Magnetism, Magnetic Materials; Condensed Matter Physics; Characterization and Evaluation of Materials
ISSN
1557-1939
eISSN
1557-1947
D.O.I.
10.1007/s10948-017-4080-y
Publisher site
See Article on Publisher Site

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