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Electronic and magnetic properties of N-N split substitution in GaAs: A hybrid density functional study
Employing the first-principles combined with hybrid functional calculations, the electronic and magnetic properties of GaAs doped with a N2 molecule are investigated in this work. We find that in Ga32As31(N2)As the N-N split is able to saturate the dangling bond of Ga atom ,form sp3-like hybridizati...
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| Main Authors: | , , , , , , |
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| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
AIP Publishing LLC
2015-07-01
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| Serier: | AIP Advances |
| Online adgang: | http://dx.doi.org/10.1063/1.4928073 |
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