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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"},"verification_status":{"content_addressed":true,"pith_receipt":true,"author_attested":false,"weak_author_claims":0,"strong_author_claims":0,"externally_anchored":false,"storage_verified":false,"citation_signatures":0,"replication_records":0,"graph_snapshot":true,"references_resolved":false,"formal_links_present":false},"canonical_record":{"source":{"id":"1806.00055","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2018-05-31T19:12:02Z","cross_cats_sorted":[],"title_canon_sha256":"f4f518e9a8dadf74efb574a5c450e4a7feb62375a07d60739ae118578beec3b0","abstract_canon_sha256":"7d0ce5dfcda393c82f10a12ff5729a82035c8f5e5f76175e7ec0f892f3c423eb"},"schema_version":"1.0"},"receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-18T00:02:34.470120Z","signature_b64":"lr7Zpl8aDKZbmdhF1OcAVpXsSdxQZMf0Mg4P7aPto/YKPo50I27emA8mCUIlhzb4wuXK+OrnIWy0WsONHDFcCA==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"2a193e7b489bd348b6176b6a166ae10de3d77f1dd3386bd19f77493f922b2028","last_reissued_at":"2026-05-18T00:02:34.469520Z","signature_status":"signed_v1","first_computed_at":"2026-05-18T00:02:34.469520Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"graph_snapshot":{"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. 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