Electronic structure and optical properties of CuGaS<sub>2</sub> and CuInS<sub>2</sub> solar cell materials期刊界 All Journals 搜尽天下杂志传播学术成果专业期刊搜索期刊信息化学术搜索

Electronic structure and optical properties of CuGaS₂ and CuInS₂ solar cell materials

Authors:	Amit Soni C.M. Arora B.L. Ahuja

Affiliation:	^a Department of Electrical Engg., Global Institute of Technology, Jaipur 302 022, Rajasthan, India ^b Department of Electrical Engg., Malaviya National Institute of Technology, Jaipur 302 017, Rajasthan, India ^c Department of Physics, M L Sukhadia University, Udaipur 313 001, Rajasthan, India

Abstract:	We report energy bands, density of states and optical properties of CuGaS₂ and CuInS₂ chalcopyrites. The electronic structure has been computed using linear combination of atomic orbitals (LCAO) scheme within density functional theory (DFT) and full-potential linearised augmented plane wave method. The energy bands, density of states, components of dielectric tensors and absorption coefficients are compared with the available data. It is seen that the present LCAO-DFT calculations reproduce the electronic properties of both the chalcopyrites in a reasonable way. The optical properties show more absorption of solar radiations for CuGaS₂ chalcopyrite, depicting its more usefulness in the solar cells.

Keywords:	Solar cells Density functional theory Dielectric properties
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