{"paper":{"title":"Charge-induced spin polarization in non-magnetic organic molecule Alq$_{3}$","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["cond-mat.other","physics.atm-clus","physics.bio-ph"],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Biplab Sanyal, Kartick Tarafder, Peter M. Oppeneer","submitted_at":"2010-08-20T15:35:57Z","abstract_excerpt":"Electrical injection in organic semiconductors is a key prerequisite for the realization of organic spintronics. Using density-functional theory calculations we report the effect of electron transfer into the organic molecule Alq$_3$. Our first-principles simulations show that electron injection spontaneously spin-polarizes non-magnetic Alq$_3$ with a magnetic moment linearly increasing with induced charge. An asymmetry of the Al--N bond lengths leads to an asymmetric distribution of injected charge over the molecule. The spin-polarization arises from a filling of dominantly the nitrogen $p_z$"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1008.3525","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"}