Electronic structure calculation of Mn-doped GaAs

Electronic structure calculation of Mn-doped GaAs

The molecular cluster model, within the framework of the self-consistent field multiple scattering Xα method, is applied to calculate the electronic structure of a Mn substitutional impurity in GaAs. The charge states Mn 3+, with spin configurations S = 0 and 2, and Mn 2+, with S = 5 2 , were analys...

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Veröffentlicht in:Solid state communications 1982-01, Vol.44 (3), p.369-372
Hauptverfasser: Dal Pino, Arnaldo, Fazzio, Adalberto, Leite, JoséR.
Format: Artikel
Sprache:eng
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Zusammenfassung:The molecular cluster model, within the framework of the self-consistent field multiple scattering Xα method, is applied to calculate the electronic structure of a Mn substitutional impurity in GaAs. The charge states Mn 3+, with spin configurations S = 0 and 2, and Mn 2+, with S = 5 2 , were analysed. The theoretical results compare fairly well with the experimental data obtained from ESR and optical spectroscopic experiments.
ISSN:0038-1098
1879-2766
DOI:10.1016/0038-1098(82)90872-9