{"paper":{"title":"Comparative Study of Structural and Electronic Properties of Cu-based Multinary Semiconductors","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Bi-ching Shih, Peihong Zhang, Wenqing Zhang, Xiudong Sun, Xun Yuan, Yubo Zhang","submitted_at":"2011-06-23T14:27:53Z","abstract_excerpt":"We present a systematic and comparative study of the structural and electronic properties of Cu-based ternary and quaternary semiconductors using first-principles electronic structure approaches. The important role that Cu d electrons play in determining their properties is illustrated by comparing results calculated with different exchange correlation energy functionals. We show that systematic improvement of the calculated anion displacement can be achieved by using the Heyd-Scuseria-Ernzerhof (HSE06) functional compared with the Perdew-Burke-Ernzerhof (PBE) functional. Quasiparticle band st"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1106.4738","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":""},"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"}