{"paper":{"title":"Nonlinear atomic vibrations and structural phase transitions in strained carbon chains","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["cond-mat.mes-hall"],"primary_cat":"nlin.PS","authors_text":"D.A. Sizintsev, G.M. Chechin, O.A. Usoltsev","submitted_at":"2017-01-17T06:28:46Z","abstract_excerpt":"We consider longitudinal nonlinear atomic vibrations in uniformly strained carbon chains with the cumulene structure ($=C=C=)_{n}$. With the aid of ab initio simulations, based on the density functional theory, we have revealed the phenomenon of the $\\pi$-mode softening in a certain range of its amplitude for the strain above the critical value $\\eta_{c}\\approx 11\\,{\\%}$. Condensation of this soft mode induces the structural transformation of the carbon chain with doubling of its unit cell. This is the Peierls phase transition in the strained cumulene, which was previously revealed in [Nano Le"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1701.04543","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"}