{"paper":{"title":"Data-driven estimation of transfer integrals in undoped cuprates","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":["cond-mat.mtrl-sci"],"primary_cat":"cond-mat.str-el","authors_text":"Denys Y. Kononenko, Jeroen van den Brink, Oleg Janson, Ulrich K. R\\\"o{\\ss}ler","submitted_at":"2023-03-24T14:45:28Z","abstract_excerpt":"Undoped cuprates are an abundant class of magnetic insulators, in which the synergy of rich chemistry and sizable quantum fluctuations leads to a variety of magnetic behaviors. Understanding the magnetism of these materials is impossible without the knowledge of the underlying spin model. The typically dominant antiferromagnetic superexchanges can be accurately estimated from the respective electronic transfer integrals. Density functional theory calculations mapped onto an effective one-orbital model in the Wannier basis are an accurate, albeit computationally cumbersome method to estimate su"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2303.14033","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/2303.14033/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"}