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      Antisite traps and metastable defects in Cu(In,Ga)Se2 thin-film solar cells studied by screened-exchange hybrid density functional theory

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          Abstract

          Electronic structure calculations within screened-exchange hybrid density functional theory show that Cu(In,Ga) antisites in both CuInSe2 and CuGaSe2 are localized hole traps, which can be attributed to the experimentally observed N2 level. In contrast, GaCu antisites and their defect complexes with copper vacancies exhibit an electron trap level, which can limit the open-circuit voltage and efficiency in Ga-rich Cu(In,Ga)Se2 alloys. Low-temperature photoluminescence measurements in CuGaSe2 thin-film solar cells show a free-to-bound transition at an energy of 1.48 eV, in very good agreement with the calculated transition energy for the GaCu antisite. Since the intrinsic DX center does not exhibit a pinning level within the band gap of CuInSe2, metastable DX behaviour can only be expected for GaCu antisites.

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          Most cited references 15

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          Defect physics of theCuInSe2chalcopyrite semiconductor

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            n-type doping ofCuInSe2andCuGaSe2

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              Intrinsic\(DX\)Centers in Ternary Chalcopyrite Semiconductors

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                Author and article information

                Journal
                11 May 2012
                1205.2556

                http://arxiv.org/licenses/nonexclusive-distrib/1.0/

                Custom metadata
                5 pages, 5 figures
                cond-mat.mtrl-sci

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