{"paper":{"title":"A noncollinear density functional theory ansatz for the phononic and thermodynamic properties of $\\alpha$-Pu","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":["cond-mat.str-el"],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Alexander R. Mu\\~noz, David C. Arellano, Derek V. Prada, Greta L. Chappell, Matthew S. Cook, Paul H. Tobash, Sven P. Rudin, Travis E. Jones, W. Adam Phelan","submitted_at":"2024-05-23T17:29:38Z","abstract_excerpt":"Plutonium's phase diagram is host to complex structures and interactions that make the description of its ground state properties elusive. Using all-electron density functional theory, we study the thermodynamic properties of $\\alpha$-Pu. To do this, we build on recent work in the literature by introducing a novel noncollinear magnetic ansatz for $\\alpha$-Pu's ground state. The noncollinear ansatz accurately recovers the experimental phonon density of states, heat capacity, and thermal expansion. These new results on $\\alpha$-Pu along with recent results on $\\delta$-Pu demonstrate the efficacy"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2405.14816","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":""},"integrity":{"clean":true,"summary":{"advisory":0,"critical":0,"by_detector":{},"informational":0},"endpoint":"/pith/2405.14816/integrity.json","findings":[],"available":true,"detectors_run":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938"},"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"}