{"paper":{"title":"A combined first-principles and thermodynamic approach to M-Nitronyl Nitroxide (M=Co, Mn) spin helices","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Alessandro Vindigni, Marco Scarrozza, Paolo Barone, Roberta Sessoli, Silvia Picozzi","submitted_at":"2015-03-01T15:17:07Z","abstract_excerpt":"The properties of two molecular-based magnetic helices, composed of 3$d$ metal Co and Mn ions bridged by Nitronyl Nitroxide radicals, are investigated by density functional calculations. Their peculiar and distinctive magnetic behavior is here elucidated by a thorough description of their magnetic, electronic, and anisotropy properties. Metal ions are antiferromagnetically coupled with the radicals, leading to a ferrimagnetically ordered ground state. A strong metal-radical exchange coupling is found, about 44 meV and 48 meV for Co- and Mn-helices, respectively. The latter have also relevant n"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1503.00292","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"}