{"paper":{"title":"The Quantum Transport of Pyrene and its Silicon-Dopped Variant: A DFT-NEGF Approach","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.mes-hall","authors_text":"Alireza Rastkar Ebrahimzade, Badie Ghavami, Jaber Jahanbin Sardroodi, Mina Yaghoobi, Sadegh Afshari","submitted_at":"2014-01-29T09:05:00Z","abstract_excerpt":"The quantum conductance properties of pyrene molecule and its silicone-doped variant between semi-infinite aluminum nano-chains have been investigated by using the density functional theory (DFT) combined with the non-equilibrium Green function (NEGF) method. Electronic transport computations have been carried out in the bias voltage range valued from 0.0 to +2.0 V divided by 0.1 V step-sized intervals and under the gate potentials including -3.0, 0.0 and +3.0 V. The Current-bias curves at the considered bias and gates potential show regions with negative differential resistance (NDR). The eff"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1401.7440","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"}