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Indium-Gallium Segregation in CuInxGa1-xSe2: An Ab Initio-Based Monte Carlo Study

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Ludwig, C. D. R., Gruhn, T., Felser, C., Schilling, T., Windeln, J., & Kratzer, P. (2010). Indium-Gallium Segregation in CuInxGa1-xSe2: An Ab Initio-Based Monte Carlo Study. Physical Review Letters, 105(2): 025702, pp. 1-4. doi:10.1103/PhysRevLett.105.025702.


Cite as: http://hdl.handle.net/11858/00-001M-0000-0018-A495-F
Abstract
Thin-film solar cells with CuInxGa1-xSe2 (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.