Electronic structure and optical properties of CuGaS{sub 2} and CuInS{sub 2} solar cell materials

We report energy bands, density of states and optical properties of CuGaS{sub 2} and CuInS{sub 2} 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 w...

Full description

Saved in:
Bibliographic Details
Published in:Solar energy 2010-08, Vol.84 (8)
Main Authors: Soni, Amit, Gupta, Vikas, Arora, C.M., Dashora, Alpa, Ahuja, B.L.
Format: Article
Language:English
Subjects:
ABSORPTION
BAND THEORY
COPPER SULFIDES
DENSITY FUNCTIONAL METHOD
DIELECTRIC PROPERTIES
DIELECTRIC TENSOR
ELECTRONIC STRUCTURE
ENERGY LEVELS
GALLIUM SULFIDES
INDIUM SULFIDES
LCAO METHOD
MATERIALS SCIENCE
OPTICAL PROPERTIES
POTENTIALS
SOLAR CELLS
SOLAR ENERGY
SOLAR RADIATION
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:We report energy bands, density of states and optical properties of CuGaS{sub 2} and CuInS{sub 2} 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 CuGaS{sub 2} chalcopyrite, depicting its more usefulness in the solar cells. (author)
ISSN:0038-092X
1471-1257
DOI:10.1016/J.SOLENER.2010.05.010