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This article is cited in 1 scientific paper (total in 1 paper)
XXI All-Russian School-Seminar on Condensed Matter Physics (SPFKS-21), Yekaterinburg, March 18-25, 2021
Metals
The half-metallic properties of Heusler alloys Mn$_2$Sc$Z$ ($Z$ = Al, Si, P, Ga, Ge, As, In, Sn, Sb): ab initio study
D. R. Baygutlina, V. V. Sokolovskiyab, O. N. Miroshkinaac, V. D. Buchel'nikovab a Chelyabinsk State University, Chelyabinsk, Russia
b National University of Science and Technology MISiS, Moscow, Russia
c University of Duisburg-Essen, Duisburg, Germany
Abstract:
The properties of Heusler alloys of the Mn$_2$Sc$Z$ family (Z = Al, Si, P, Ga, Ge, As, In, Sn, Sb) are investigated within the framework of the density functional theory. The PBE GGA and meta-GGA SCAN functionals were used for approximation of the exchange-correlation interactions. Calculations show that PBE does not predict ideal half-metallic behavior, unlike SCAN. It is shown that at $Z$ = P, Si, a transition from the half-metallic state to the metallic one is observed. This effect can be used to develop tunable spintronic devices.
Keywords:
exchange-correlation functional, meta-GGA SCAN, half-metal ferromagnets, Heusler alloys.
Received: 08.07.2021 Revised: 13.07.2021 Accepted: 16.07.2021
Citation:
D. R. Baygutlin, V. V. Sokolovskiy, O. N. Miroshkina, V. D. Buchel'nikov, “The half-metallic properties of Heusler alloys Mn$_2$Sc$Z$ ($Z$ = Al, Si, P, Ga, Ge, As, In, Sn, Sb): ab initio study”, Fizika Tverdogo Tela, 63:11 (2021), 1751–1757
Linking options:
https://www.mathnet.ru/eng/ftt7943 https://www.mathnet.ru/eng/ftt/v63/i11/p1751
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