{"paper":{"title":"First-principles calculations of phase transition, low elastic modulus, and superconductivity for zirconium","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Bao-Tian Wang, Han-Yu Liu, Peng Zhang, Ping Zhang, Wei-Dong Li","submitted_at":"2010-07-28T09:56:43Z","abstract_excerpt":"The elasticity, dynamic properties, and superconductivity of $\\alpha$, $\\omega$, and $\\beta$ Zr are investigated by using first-principles methods. Our calculated elastic constants, elastic moduli, and Debye temperatures of $\\alpha$ and $\\omega$ phases are in excellent agreement with experiments. Electron-phonon coupling constant $\\lambda$ and electronic density of states at the Fermi level $N$(\\emph{E}$_{\\rm{F}}$) are found to increase with pressure for these two hexagonal structures. For cubic $\\beta$ phase, the critical pressure for mechanical stability is predicted to be 3.13 GPa and at \\e"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1007.4913","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"}