{"paper":{"title":"Combining Quasiparticle Self-Consistent $GW$ and Machine-Learned DFT+$U$ to Assess Half-Metallicity in Co- and Ni-Based Heuslers","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":["cond-mat.str-el","physics.comp-ph"],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Chenbo Min, Christopher J. Palmstr{\\o}m, Derek Dardzinski, Hantian Liu, Jiatian Wu, Maituo Yu, Malcolm J. A. Jardine, Noa Marom, Zefeng Cai","submitted_at":"2026-02-24T07:14:46Z","abstract_excerpt":"Half-metallic Heusler compounds are of significant interest for spintronics. For device fabrication, compounds that can be epitaxially grown on III-V semiconductors are particularly attractive. We present a first-principles investigation of four Co-based and two Ni-based Heusler compounds that are lattice-matched to InAs. The results of density functional theory (DFT) using semi-local and hybrid functionals are compared to quasiparticle self-consistent $GW$ (QP$GW$). We also consider DFT with machine-learned Hubbard $U$ corrections [npj Computational Materials 6, 180 (2020)] with a new Bayesia"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2602.20621","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/2602.20621/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"}