| Citation: |
Chen Xiang, Zhao Yujun, Yao Ruohe, He Julong. Impact of Lattice Volume on the Band Gap Broadening of Isovalent S-Doped CuInSe2[J]. Journal of Semiconductors, 2008, 29(10): 1883-1888.
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Chen X, Zhao Y J, Yao R H, He J L. Impact of Lattice Volume on the Band Gap Broadening of Isovalent S-Doped CuInSe2[J]. J. Semicond., 2008, 29(10): 1883.
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Impact of Lattice Volume on the Band Gap Broadening of Isovalent S-Doped CuInSe2
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Abstract
The electronic structure of pure and S-doped chalcopyrite CuInSe2 is investigated using a first-principles pseudopotential method in the generalized gradient approximation.The calculation indicates that the band gap of CuInSe2 broadens as S-doping concentration increases.We find that the decreased lattice volume due to isovalent S-doping in CuInSe2 has a significant impact on the band gap broadening phenomena.This physical insight is further discussed with the study of the electronic structure and bond length changes.-
Keywords:
- first-principles calculation,
- CuInSe2,
- band gap broadening
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References
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Proportional views
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