GW quasiparticle band structures of stibnite, antimonselite, bismuthinite, and guanajuatite
We present first-principles calculations of the quasiparticle band structures of four isostructural semiconducting metal chalcogenides A 2B3 (with A = Sb, Bi and B = S, Se) of the stibnite family within the G0W0 approach. We perform extensive convergence tests and identify a sensitivity of the quasi...
| Main Authors: | , , |
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| 格式: | Journal article |
| 语言: | English |
| 出版: |
2013
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