{"paper":{"title":"Paraorbital ground state of trivalent Ni ion in LiNiO$_2$ from DFT+DMFT calculations","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.str-el","authors_text":"Dm.M. Korotin, D. Novoselov, V.I. Anisimov","submitted_at":"2018-06-29T07:40:49Z","abstract_excerpt":"In LiNiO$_2$ Ni$^{3+}$ ion has $d^7$ configuration in cubic crystal field with one electron on double degenerate $e_g$ orbitals, and such ion is considered to be Jahn-Teller (JT) active. However despite the fact, that this compound is an insulator, and hence $d$-electrons are localized, a cooperative JT lattice distortion was not observed. This problem was usually supposed to be resolved by the presence of local JT-distortions that do not order in cooperative JT distorted crystal structure. In the present work DFT+DMFT approach, combining Density Functional Theory with Dynamical Mean-Field The"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1806.11287","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"}