title: Indium-gallium segregation in CuIn(x)Ga(1-x)Se2: an ab initio-based Monte Carlo study.
abstract: Thin-film solar cells with CuIn(x)Ga(1-x)Se2 (CIGS) absorber are still far below their efficiency limit, although lab cells already reach 20.1%. One important aspect is the homogeneity of the alloy. Large-scale simulations combining Monte Carlo and density functional calculations show that two phases coexist in thermal equilibrium below room temperature. Only at higher temperatures, CIGS becomes more and more a homogeneous alloy. A larger degree of inhomogeneity for Ga-rich CIGS persists over a wide temperature range, which contributes to the observed low efficiency of Ga-rich CIGS solar cells.
authors.affiliation: Institute of Inorganic and Analytical Chemistry, Johannes Gutenberg-Universität Mainz, Germany.
authors.forename: Christian D R
authors.initials: CD
authors.lastname: Ludwig
authors.forename: Thomas
authors.initials: T
authors.lastname: Gruhn
authors.forename: Claudia
authors.initials: C
authors.lastname: Felser
authors.forename: Tanja
authors.initials: T
authors.lastname: Schilling
authors.forename: Johannes
authors.initials: J
authors.lastname: Windeln
authors.forename: Peter
authors.initials: P
authors.lastname: Kratzer