6533b858fe1ef96bd12b6ba2
RESEARCH PRODUCT
Indium-Gallium Segregation inCuInxGa1−xSe2: AnAb Initio–Based Monte Carlo Study
Claudia FelserPeter KratzerChristian D. R. LudwigTanja SchillingTanja SchillingThomas GruhnJohannes Windelnsubject
Thermal equilibriumMaterials scienceCondensed matter physicsMonte Carlo methodAlloyAb initioGeneral Physics and Astronomychemistry.chemical_elementThermodynamicsAstrophysics::Cosmology and Extragalactic Astrophysicsengineering.materialAtmospheric temperature rangeCopper indium gallium selenide solar cellschemistryengineeringGalliumIndiumdescription
Thin-film solar cells with ${\mathrm{CuIn}}_{x}{\mathrm{Ga}}_{1\ensuremath{-}x}{\mathrm{Se}}_{2}$ (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.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2010-07-09 | Physical Review Letters |