{"paper":{"title":"Bonds, bands, and bandgaps in tetrahedrally bonded ternary compounds: the role of group V Lone Pairs","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Dat Do, S. D. Mahanti","submitted_at":"2013-06-03T17:11:10Z","abstract_excerpt":"An interesting class of tetrahedrally coordinated ternary compounds have attracted considerable interest because of their potential as good thermoelectrics. These compounds, denoted as I$_3$-V-VI$_4$, contain three monovalent-I (Cu, Ag), one nominally pentavalent-V (P, As, Sb, Bi), and four hexavalent-VI (S, Se, Te) atoms; and can be visualized as ternary derivatives of the II-VI zincblende or wurtzite semiconductors, obtained by starting from four unit cells of (II-VI) and replacing four type II atoms by three type I and one type V atoms. In trying to understand their electronic structures an"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1306.0503","kind":"arxiv","version":3},"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"}