{"paper":{"title":"Prediction of topological insulating behavior in Hg2CuTi-type Heusler compounds from first principles","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.mtrl-sci","authors_text":"E. K. Liu, G. D. Liu, G. H. Wu, W. H. Wang, X. M. Zhang, Z. Y. Liu","submitted_at":"2012-11-01T14:23:25Z","abstract_excerpt":"The topological band structures of the X2YZ Heusler compounds with the Hg2CuTi structure are investigated by using first-principles calculations within density functional theory. Our results clearly show that a large number of the Hg2CuTi type Heusler compounds naturally exhibit distinct band-inversion feature, which is mainly controlled by the Y-Z zinc blende sublattice. Similar to the half-Heusler family, the topological band order in Hg2CuTi type Heusler compounds is sensitive to the variation of lattice constant, and most of them possess a negative formation energy, which makes them more s"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1211.0190","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"}