{"paper":{"title":"The nature of the ferromagnetic ground state in the Mn4 molecular magnet","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["cond-mat.mtrl-sci","cond-mat.other","quant-ph"],"primary_cat":"cond-mat.str-el","authors_text":"A.O. Anokhin, D.I. Khomskii, M.A. Korotin, N.A. Skorikov, S.V. Streltsov, V.I. Anisimov, V.V. Ustinov, Yu.N. Shvachko, Z.V. Pchelkina","submitted_at":"2013-12-22T14:47:01Z","abstract_excerpt":"Using ab initio band structure and model calculations we studied magnetic properties of one of the Mn$_4$ molecular magnets (Mn4(hmp)6), where two types of the Mn ions exist: Mn3+ and Mn2+. The direct calculation of the exchange constants in the GGA+U approximation shows that in contrast to a common belief the strongest exchange coupling is not between two Mn3+ ions (J_{bb}), but along two out of four exchange paths connecting Mn3+ and Mn2+ ions (J_{wb}). The microscopic analysis performed within the perturbation theory allowed to establish the mechanism for this largest ferromagnetic exchange"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1312.6390","kind":"arxiv","version":2},"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"}