{"paper":{"title":"Density functional investigation of spin polarization in bulk and thin films of nitrogen intercalated Cu3N","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["physics.comp-ph"],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Marzieh Ghoohestani, Masoud Karimipour, Seyed Javad Hashemifar, Seyed Mojtaba Rezaei Sani","submitted_at":"2014-05-11T07:49:43Z","abstract_excerpt":"It has been reported theoretically that the intercalation of nitrogen in the voids of the rather open cubic structure of bulk Cu3N build up a magnetic structure. In an extended effort to study this system, we have investigated spin polarization in bulk and thin films of nitrogen intercalated Cu3N (Cu3N2) structure by means of first-principles calculations based on Kohn-Sham density functional theory and ultrasoft pseudopotentials technique. Contrary to the previous study, the results show that after an accurate structural relaxation of the system, magnetism in the bulk structure vanishes. This"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1405.2507","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"}