• Gunjan Arora

In this paper we report the electronic structure calculations of cubic chalcopyrite CuGaSe2 using density functional theory, within various exchange and correlation operators of linear combination of atomic orbitals method. The chalcopyrite results in a direct-gap semiconductor with valence band maximum and the conduction band minimum at the  point of irreducible Brillouin zone.

Solar Cell Materials; Band Structural Calculations; Density Functional Theory

"Electronic Band Structure of Solar Cell Material by Range Separated Hybrid Theory", International Journal of Emerging Technologies and Innovative Research (www.jetir.org), ISSN:2349-5162, Vol.5, Issue 9, page no.289-291, September-2018, Available :http://www.jetir.org/papers/JETIRB006056.pdf

"Electronic Band Structure of Solar Cell Material by Range Separated Hybrid Theory", International Journal of Emerging Technologies and Innovative Research (www.jetir.org | UGC and issn Approved), ISSN:2349-5162, Vol.5, Issue 9, page no. pp289-291, September-2018, Available at : http://www.jetir.org/papers/JETIRB006056.pdf