{"paper":{"title":"Coupling between octahedral rotations and local polar displacements in WO3/ReO3 superlattices","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.mtrl-sci","authors_text":"(2) University of Pennsylvania), Andrew M. Rappe (2) ((1) Villanova University, Diomedes Saldana-Greco (2), Joseph T. Schick (1), Lai Jiang (2)","submitted_at":"2014-05-14T21:40:35Z","abstract_excerpt":"We model short-period superlattices of WO$_3$ and ReO$_3$ with first-principles calculations. In fully-relaxed superlattices, we observe that octahedral tilts about an axis in the planes of the superlattices do not propagate from one material, despite the presence of the corner-shared oxygen atoms. However, we find that octahedral rotation is enhanced within WO$_3$ layers in cases in which strain couples with native antiferroelectric displacements of tungsten within their octahedral cages. Resulting structures remain antiferroelectric with low net global polarization. Thermodynamic analysis re"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1405.3699","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"}