{"paper":{"title":"Origin of large moments in Mn$_x$Si$_{1-x}$ at small x","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["cond-mat.other"],"primary_cat":"cond-mat.mtrl-sci","authors_text":"C.Y. Fong, John Pask, Kai Liu, Lin H. Yang, Michael Shaughnessy, Ryan Snow","submitted_at":"2009-06-18T18:54:10Z","abstract_excerpt":"Recently, the magnetic moment/Mn, $M$, in Mn$_x$Si$_{1-x}$ was measured to be 5.0 $\\mu_B$/Mn, at $x$ =0.1%. To understand this observed $M$, we investigate several Mn$_x$Si$_{1-x}$ models of alloys using first-principles density functional methods. The only model giving $M = 5.0$ was a 513-atom cell having the Mn at a substitutional site, and Si at a second-neighbor interstitial site. The observed large moment is a consequence of the weakened d-p hybridization between the Mn and one of its nearest neighbor Si atoms, resulting from the introduction of the second-neighbor interstitial Si. Our re"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"0906.3502","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"}