Band structure calculations of Cu(In1-xGax)Se2

First principles density calculations of the band structure, and density of states of the Cu(In1-xGax)Se-2 in the chalcopyrite type structure have been carried out using the density functional theory. The relationship between the band gap and chemical composition in the structure is discussed. The effective masses of the electrons and holes in the different composition crystals are reported. (c) 2010 Elsevier B.V. All rights reserved.