{"paper":{"title":"Density functional theory study of vacancy induced magnetism in Li$_{3}$N","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.mtrl-sci","authors_text":"A. \\\"Ostlin, E. Burzo, L. Chioncel","submitted_at":"2016-12-23T14:24:25Z","abstract_excerpt":"The effect of lithium vacancies in the hexagonal structure of $\\alpha-$Li$_3$N, is studied within the framework of density functional theory. Vacancies ($\\square$) substituting for lithium in $\\alpha-$Li$_2$(Li$_{1-x}\\square_x$)N are treated within the coherent potential approximation as alloy components. According to our results long range N($p$)-ferromagnetism ($\\sim 1$ $\\mu_B$) sets in for vacancy substitution within the [Li$_2$N] layers ($x \\ge 0.7$) with no significant change in unit cell dimensions. By total energies differences we established that in-plane exchange couplings are dominan"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1612.07981","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"}