Electronic structure and magnetism of Mn-doped GaSb for spintronic applications: A DFT study
| Contribuinte(s) |
Seña, N. Dussan, Anderson Castaño, E. González-Hernández, R. NanoTech |
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| Data(s) |
19/07/2016
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| Resumo |
We have carried out first-principles spin polarized calculations to obtain comprehensive information regarding the structural, magnetic, and electronic properties of the Mn-doped GaSb compound with dopant concentrations: x¼0.062, 0.083, 0.125, 0.25, and 0.50. The plane-wave pseudopotential method was used in order to calculate total energies and electronic structures. It was found that the MnGa substitution is the most stable configuration with a formation energy of 1.60 eV/Mn-atom. The calculated density of states shows that the half-metallic ferromagnetism is energetically stable for all dopant concentrations with a total magnetization of about 4.0 lB/Mn-atom. The results indicate that the magnetic ground state originates from the strong hybridization between Mn-d and Sb-p states, which agree with previous studies on Mn-doped wide gap semiconductors. This study gives new clues to the fabrication of diluted magnetic semiconductors |
| Formato |
application/pdf |
| Identificador | |
| Idioma(s) |
eng |
| Direitos |
info:eu-repo/semantics/openAccess |
| Fonte |
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| Tipo |
info:eu-repo/semantics/workingPaper info:eu-repo/semantics/publishedVersion |
