J. Semicond. > 2008, Volume 29 > Issue 10 > 1883-1888

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Impact of Lattice Volume on the Band Gap Broadening of Isovalent S-Doped CuInSe2

Chen Xiang, Zhao Yujun, Yao Ruohe and He Julong

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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.

Key words: first-principles calculationCuInSe2band gap broadening

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    Received: 18 August 2015 Revised: 21 May 2008 Online: Published: 01 October 2008

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      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, In Press. 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.Export: BibTex EndNote
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      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, In Press.

      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.
      Export: BibTex EndNote

      Impact of Lattice Volume on the Band Gap Broadening of Isovalent S-Doped CuInSe2

      • Received Date: 2015-08-18
      • Accepted Date: 2008-03-03
      • Revised Date: 2008-05-21
      • Published Date: 2008-11-11

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