{"paper":{"title":"Lone-pair effect on carrier capture in Cu$_2$ZnSnS$_4$ solar cells","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Aron Walsh, Ji-Sang Park, Samantha N. Hood, Sunghyun Kim","submitted_at":"2018-10-26T10:51:09Z","abstract_excerpt":"The performance of kesterite thin-film solar cells is limited by a low open-circuit voltage due to defect-mediated electron-hole recombination. We calculate the non-radiative carrier-capture cross sections and Shockley-Read-Hall recombination coefficients of deep-level point defects in Cu$_2$ZnSnS$_4$ (CZTS) from first-principles. While the oxidation state of Sn is +4 in stoichiometric CZTS, inert lone pair (5$s^2$) formation lowers the oxidation state to +2. The stability of the lone pair suppresses the ionization of certain point defects, inducing charge transition levels deep in the band ga"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1810.11259","kind":"arxiv","version":1},"verdict":{"id":null,"model_set":{},"created_at":null,"strongest_claim":"","one_line_summary":"","pipeline_version":null,"weakest_assumption":"","pith_extraction_headline":""},"integrity":{"clean":true,"summary":{"advisory":0,"critical":0,"by_detector":{},"informational":0},"endpoint":"/pith/1810.11259/integrity.json","findings":[],"available":true,"detectors_run":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938"},"references":{"count":0,"sample":[],"resolved_work":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","internal_anchors":0},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"author_claims":{"count":0,"strong_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"builder_version":"pith-number-builder-2026-05-17-v1"}