{"paper":{"title":"Suppression of Jahn-Teller distortion by chromium and magnesium doping in spinel LiMn2O4: A first-principles study using GGA and GGA+U","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["cond-mat.other"],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Anjan Sil, Gurpreet Singh, Rajeev Gupta, R. Prasad, S. Auluck, S. L. Gupta","submitted_at":"2009-07-10T13:04:14Z","abstract_excerpt":"The effect of doping spinel LiMn2O4 with chromium and magnesium has been studied using the first-principles spin density functional theory within GGA (generalized gradient approximation) and GGA+U. We find that GGA and GGA+U give different ground states for pristine LiMn2O4 and same ground state for doped systems. For LiMn2O4 the body centered tetragonal phase was found to be the ground state structure using GGA and face centered orthorhombic using GGA+U, while for LiM0.5Mn1.5O4 (M= Cr or Mg) it was base centered monoclinic and for LiMMnO4 (M= Cr or Mg) it was body centered orthorhombic in bot"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"0907.1803","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"}