{"paper":{"title":"Intertwined charge, spin, and orbital degrees of freedom under electronic correlations in the one-dimensional Fe$^{3+}$ chalcogenide chain","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"In the intermediate correlation regime, the Fe3+ chalcogenide chain develops an orbital-selective Mott phase where localized and itinerant electrons coexist, with no detectable pairing tendency.","cross_cats":[],"primary_cat":"cond-mat.str-el","authors_text":"Adriana Moreo, Elbio Dagotto, Gonzalo Alvarez, Ling-Fang Lin, Pontus Laurell, Thomas A. Maier, Yang Zhang","submitted_at":"2025-07-14T02:50:40Z","abstract_excerpt":"Motivated by recent developments in the study of quasi-one-dimensional iron systems with Fe$^{2+}$, we comprehensively study the Fe$^{3+}$ chalcogenide chain system. Based on first-principles calculations, the Fe$^{3+}$ chain has a similar electronic structure as discussed before in the iron 2+ chain, due to similar Fe$X_4$ ($X$ = S or Se) tetrahedron chain geometry. Furthermore, a three-orbital electronic Hubbard model for this chain was constructed by using the density matrix renormalization group method. A robust antiferromagnetic coupling was unveiled in the chain direction. In addition, i"},"claims":{"count":4,"items":[{"kind":"strongest_claim","text":"In the intermediate electronic correlation U/W region, an orbital-selective Mott phase with the coexistence of localized and itinerant electrons is found based on orbital-selective behavior in charge fluctuations, and no obvious pairing tendency is observed, suggesting superconductivity is unlikely to emerge in the Fe3+ systems.","source":"verdict.strongest_claim","status":"machine_extracted","claim_id":"C1","attestation":"unclaimed"},{"kind":"weakest_assumption","text":"The three-orbital Hubbard model derived from first-principles calculations accurately represents the low-energy physics of the real Fe3+ chain, particularly that the observed orbital-selective charge fluctuations reliably indicate a Mott phase with coexisting localized and itinerant electrons.","source":"verdict.weakest_assumption","status":"machine_extracted","claim_id":"C2","attestation":"unclaimed"},{"kind":"one_line_summary","text":"First-principles plus DMRG calculations on a three-orbital Hubbard model for Fe3+ chains find robust antiferromagnetic coupling, an orbital-selective Mott phase with mixed localized and itinerant electrons, and absence of pairing tendencies unlike in iron ladders.","source":"verdict.one_line_summary","status":"machine_extracted","claim_id":"C3","attestation":"unclaimed"},{"kind":"headline","text":"In the intermediate correlation regime, the Fe3+ chalcogenide chain develops an orbital-selective Mott phase where localized and itinerant electrons coexist, with no detectable pairing tendency.","source":"verdict.pith_extraction.headline","status":"machine_extracted","claim_id":"C4","attestation":"unclaimed"}],"snapshot_sha256":"3172c44e9ad4163aed618e3f4f8cf11dc38dd04f6042de8dd7400b1d64a224ac"},"source":{"id":"2507.09870","kind":"arxiv","version":3},"verdict":{"id":"bd56f584-3b1d-4118-bba7-09c125ff594c","model_set":{"reader":"grok-4.3"},"created_at":"2026-05-19T05:26:58.366623Z","strongest_claim":"In the intermediate electronic correlation U/W region, an orbital-selective Mott phase with the coexistence of localized and itinerant electrons is found based on orbital-selective behavior in charge fluctuations, and no obvious pairing tendency is observed, suggesting superconductivity is unlikely to emerge in the Fe3+ systems.","one_line_summary":"First-principles plus DMRG calculations on a three-orbital Hubbard model for Fe3+ chains find robust antiferromagnetic coupling, an orbital-selective Mott phase with mixed localized and itinerant electrons, and absence of pairing tendencies unlike in iron ladders.","pipeline_version":"pith-pipeline@v0.9.0","weakest_assumption":"The three-orbital Hubbard model derived from first-principles calculations accurately represents the low-energy physics of the real Fe3+ chain, particularly that the observed orbital-selective charge fluctuations reliably indicate a Mott phase with coexisting localized and itinerant electrons.","pith_extraction_headline":"In the intermediate correlation regime, the Fe3+ chalcogenide chain develops an orbital-selective Mott phase where localized and itinerant electrons coexist, with no detectable pairing tendency."},"integrity":{"clean":true,"summary":{"advisory":0,"critical":0,"by_detector":{},"informational":0},"endpoint":"/pith/2507.09870/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":1,"snapshot_sha256":"e4546d426d2b2724c1d2e24fbe8b2301f70766b89420718aec615c7e7d0c0480"},"author_claims":{"count":0,"strong_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"builder_version":"pith-number-builder-2026-05-17-v1"}