Первопринципное иследование полуметаллических свойств сплавов Гейслера Mn-=SUB=-2-=/SUB=-ScZ (Z=Al, Si, P, Ga, Ge, As, In, Sn, Sb)
Keyword(s):
The properties of Heusler alloys of the Mn2ScZ 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.
2020 ◽
Vol 62
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pp. 1-14
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2012 ◽
Vol 535-537
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pp. 1291-1294
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2015 ◽
Vol 29
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pp. 493-500
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1990 ◽
Vol 65
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pp. 2608-2608
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2006 ◽
Vol 124
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pp. 094109
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2016 ◽
Vol 97
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pp. 119-123