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lab:research:gaassb [2014/12/17 09:08] jejune |
lab:research:gaassb [2014/12/17 09:28] jejune |
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describe the correct electronic structures including underestimated | describe the correct electronic structures including underestimated | ||
band gap and incorrect band splitting. To resolve such issues, we | band gap and incorrect band splitting. To resolve such issues, we | ||
- | consider spin-orbit coupling effects and GW corrections on GaAs<sub>1-//x//</sub>Sb<sub>//x//</sub> | + | consider spin-orbit coupling effects and [[wp>GW_approximation|GW corrections]] |
+ | on GaAs<sub>1-//x//</sub>Sb<sub>//x//</sub> | ||
with the composition of //x// = 0, 0.25, 0.5, 0.75, and 1. To | with the composition of //x// = 0, 0.25, 0.5, 0.75, and 1. To | ||
calculate their band structures, we make use of maximally | calculate their band structures, we make use of maximally | ||
localized Wannier functions to interpolate GW quasiparticle | localized Wannier functions to interpolate GW quasiparticle | ||
- | band structures. Based on our GW[[wp>GW_approximation|GW approximation]] | + | band structures. Based on our GW calculations, we discuss |
- | calculations, we discuss the trend of band gaps at various high | + | the trend of band gaps at various high symmetric points |
- | symmetric points in the Brillouin zone with the composition //x//. | + | in the Brillouin zone with the composition //x//. |