{"paper":{"title":"First-principles study of native point defects in Bi2Se3","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.mtrl-sci","authors_text":"C. X. Zhang, C. Y. He, G. L. Hao, J. X. Zhong, L. Xue, L. Z. Sun, P. Zhou","submitted_at":"2012-06-30T14:58:55Z","abstract_excerpt":"Using first-principles method within the framework of the density functional theory, we study the influence of native point defect on the structural and electronic properties of Bi$_2$Se$_3$. Se vacancy in Bi$_2$Se$_3$ is a double donor, and Bi vacancy is a triple acceptor. Se antisite (Se$_{Bi}$) is always an active donor in the system because its donor level ($\\varepsilon$(+1/0)) enters into the conduction band. Interestingly, Bi antisite(Bi$_{Se1}$) in Bi$_2$Se$_3$ is an amphoteric dopant, acting as a donor when $\\mu$$_e$$<$0.119eV (the material is typical p-type) and as an acceptor when $\\"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1207.0103","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"}