{"paper":{"title":"Atomic Distributions in Topological Insulator Bi$_2$Se$_{3-x}$Te$_x$","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Haotian Zheng, Kaixin Huang, Weidong Luo","submitted_at":"2016-12-14T18:05:04Z","abstract_excerpt":"Bi$_2$Se$_3$ is a topological insulator and it is often doped with Te to compensate the $n$-type carriers due to Se vacancies. Different doping patterns of Te would influence the transport characteristics of the surface states. We study the Te atom distribution in Bi$_2$Se$_3$ with different Te concentrations, using first-principles density-functional-theory calculations. We show that Te prefer the outer layer, until the composition becomes Bi$_2$SeTe$_2$ and the outer layer is full of Te. And for a fixed ratio of Se and Te atoms within a single layer, we find that the structures with less num"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1612.04756","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"}