{"paper":{"title":"Structure and thermodynamic stability of $\\beta$-Ga$_2$O$_3$ surfaces","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Claudia Draxl, Konstantin Lion","submitted_at":"2026-07-29T19:49:03Z","abstract_excerpt":"We present a comprehensive first-principles investigation of all symmetrically inequivalent low-index surfaces of $\\beta$-Ga$_2$O$_3$, examining their structural properties and thermodynamic stability across experimentally relevant growth conditions. Using density-functional theory with both semi-local (PBEsol) and hybrid (PBE0) functionals, we calculate surface free energies for the (010), (100), (001), ($\\bar{2}01$), (110), (111), and ($11\\bar{1}$) orientations, including the effects of harmonic vibrational contributions and varying oxygen chemical potentials. We demonstrate that the energet"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2607.27424","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/2607.27424/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"}