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lab:research:gaassb [2014/11/09 01:21] 127.0.0.1 external edit |
lab:research:gaassb [2014/12/17 09:08] jejune |
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==== Optical properties of GaAsSb ==== | ==== Optical properties of GaAsSb ==== | ||
- | Using [[wp>GW_approximation|GW approximation]], we have calculated | + | It is very important to understand the electronic structure of |
- | quasiparticle band structure of | + | GaAs and GaSb for fabrication of electronic and optoelectronic |
- | GaAs<sub>1-//x//</sub>Sb<sub>//x//</sub>. blah blah | + | devices. Recently, tenary compounds, GaAs<sub>1-//x//</sub>Sb<sub>//x//</sub> |
- | + | began to attract much attention from researchers because they | |
+ | were synthesized and expected to be new materials for optoeletronic | ||
+ | devices. For //x// = 1 and //x// = 0, there have been a lot of computational | ||
+ | studies to investigate their structural, electronic and optical | ||
+ | properties, but few studies for general cases. Moreover, it has | ||
+ | been known that “regular” density functional calculations does not | ||
+ | describe the correct electronic structures including underestimated | ||
+ | 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> | ||
+ | with the composition of //x// = 0, 0.25, 0.5, 0.75, and 1. To | ||
+ | calculate their band structures, we make use of maximally | ||
+ | localized Wannier functions to interpolate GW quasiparticle | ||
+ | band structures. Based on our GW[[wp>GW_approximation|GW approximation]] | ||
+ | calculations, we discuss the trend of band gaps at various high | ||
+ | symmetric points in the Brillouin zone with the composition //x//. |