{"paper":{"title":"First-principles studies of the Optical anisotropy of R3 space group chalcogenides crystal AX2MQ6","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Hua Lin, Jusong Yu, Liming Wu, Yujun Zheng","submitted_at":"2016-09-27T02:50:21Z","abstract_excerpt":"In order to explain the reason that all the sythesised \\ce{AX2MQ6} chalcogenides compounds are phase-matching while isomorphic chalcogenides compounds \\ce{AX4M5Q12} are not phase-matched materials. The linear optical property birefringence and non-linear optical property of $R3$ space group crystals \\ce{AX2MQ6} have been calculated to compare with \\ce{AX4M5Q12}. Their Electron Localization Function(ELF) was calculated to show that the acentricity of the bonds on $sp^3$ hybridization \\ce{Q^2-} ions is the main origin of optical anisotropy. To quantificat the acentricity, a geometric parameter d"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1609.08243","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"}