{"paper":{"title":"Deformation, lattice instability, and metallization during solid-solid structural transformations under general applied stress tensor: example of Si I -> Si II","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Duane D. Johnson, Hao Chen, Nikolai A. Zarkevich, Valery I. Levitas","submitted_at":"2018-05-31T19:12:02Z","abstract_excerpt":"Density functional theory (DFT) was employed to study the stress-strain behavior, elastic instabilities, and metallization during a solid-solid phase transformation (PT) between semiconducting Si I (cubic A4) and metallic Si II (tetragonal A5 structure) when subjected to a general stress tensor. With normal stresses ($\\sigma_1$, $\\sigma_2$, $\\sigma_3$) acting along $\\left<110 \\right>$, $\\left<1\\bar{1}0 \\right>$, and $\\left<001\\right>$, respectively, dictating the simulation cell, we determine combinations of 6 independent stresses that drive a lattice instability for the Si I$\\rightarrow$Si II"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1806.00055","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"}