{"paper":{"title":"Stability and dopability of native defects and group-V and -VII impurities in single-layer MoS2","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Hanchul Kim, Ji-Young Noh, MinKyu Park, Yong-Sung Kim","submitted_at":"2013-07-15T03:30:45Z","abstract_excerpt":"We investigate the native defects, the Mo substitutional impurities of the group-VB and -VIIB elements, and the S substitutional impurities of the group-VA and -VIIA elements in single-layer MoS2, through density-functional theory calculations. It is found that the S-vacancy (V_S) and S-interstitial (S_i) are low in formation energy, about ~1 eV, in Mo- and S-rich conditions, respectively, but the carrier doping ability of the V_S and S_i is found to be poor, as they are deep level defects. The V, Nb, and Ta (group-VB) and Re (group-VIIB) impurities are found to be easily incorporated in singl"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1307.3813","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"}