{"paper":{"title":"Complex $\\mathrm{Ga}_{2}\\mathrm{O}_{3}$ Polymorphs Explored by Accurate and General-Purpose Machine-Learning Interatomic Potentials","license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","headline":"","cross_cats":["physics.comp-ph"],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Flyura Djurabekova, Huan He, Jesper Byggm\\\"astar, Junlei Zhao, Kai Nordlund, Mengyuan Hua","submitted_at":"2022-12-06T16:04:40Z","abstract_excerpt":"$\\mathrm{Ga}_{2}\\mathrm{O}_{3}$ is a wide-bandgap semiconductor of emergent importance for applications in electronics and optoelectronics. However, vital information of the properties of complex coexisting $\\mathrm{Ga}_{2}\\mathrm{O}_{3}$ polymorphs and low-symmetry disordered structures is missing. In this work, we develop two types of kernel-based machine-learning Gaussian approximation potentials (ML-GAPs) for $\\mathrm{Ga}_{2}\\mathrm{O}_{3}$ with high accuracy for $\\beta$/$\\kappa$/$\\alpha$/$\\delta$/$\\gamma$ polymorphs and generality for disordered stoichiometric structures. We release two v"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2212.03096","kind":"arxiv","version":2},"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/2212.03096/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"}