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| Hauptseite > Publikationsdatenbank > Curie temperatures of dilute magnetic semiconductors from LDA+U electronic structure calculations |
| Hauptseite > Publikationsdatenbank > Curie temperatures of dilute magnetic semiconductors from LDA+U electronic structure calculations |
| Journal Article | PreJuSER-56060 |
; ;
2006
North-Holland Physics Publ.
Amsterdam
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Please use a persistent id in citations: doi:10.1016/j.physb.2005.12.161
Abstract: The magnetic properties of dilute magnetic semiconductors (DMS) are calculated by using the local density approximation + U(LDA + U) method. In the LDA + U, occupied d-states in (Ga, Mn)As are predicted at lower energy than in the LDA and p-d exchange interaction explains calculated concentration dependence of Curie temperature very well. In (Ga, Mn)N, unoccupied d states are predicted at higher energy by LIDA + U, resulting in higher Curie temperatures than in LDA at high concentrations due to the suppression of the anti-ferromagnetic super-exchange interaction. (c) 2006 Elsevier B.V. All rights reserved.
Keyword(s): J ; dilute magnetic semiconductor (auto) ; Curie temperature (auto) ; LDA plus U (auto)
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