{"paper":{"title":"Vibrational modes and lattice distortion of a nitrogen-vacancy center in diamond from first-principles calculations","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Cai-Zhuang Wang, Jianhua Zhang, V. V. Dobrovitski, Z. Z. Zhu","submitted_at":"2011-03-19T00:16:35Z","abstract_excerpt":"We investigate vibrational properties and lattice distortion of negatively charged nitrogen-vacancy (NV) center in diamond. Using the first-principles electronic structure calculations, we show that the presence of NV center leads to appearance of a large number of quasilocalized vibrational modes (qLVMs) with different degree of localization. The vibration patterns and the symmetries of the qLVMs are presented and analyzed in detail for both ground and excited orbital states of the NV center. We find that in the high-symmetry ($C_{3v}$) excited orbital state a pair of degenerate qLVMs becomes"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1103.3736","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"}