{"paper":{"title":"Effect of covalency and interactions on the trigonal splitting in NaxCoO2","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.str-el","authors_text":"A. A. Aligia (Centro Atomico Barilche, Argentina), Instituto Balseiro","submitted_at":"2013-08-23T15:52:27Z","abstract_excerpt":"We calculate the effective trigonal crystal field Delta which splits the t2g levels of effective models for NaxCoO2 as the local symmetry around a Co ion is reduced from Oh to D3d. To this end we solve numerically a CoO6 cluster containing a Co ion with all 3d states and their interactions included, and its six nearest-neighbor O atoms, with the geometry of the system, in which the CoO6 octahedron is compressed along a C3 axis. We obtain Delta near 130 meV, with the sign that agrees with previous quantum chemistry calculations, but disagrees with first-principles results in the local density a"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1308.5162","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"}