{"paper":{"title":"Charge and Orbital Orderings, and Frustration in Quasi-one-dimensional Ferrimagnetic Insulator $\\beta$-V$_2$O(PO$_4$)","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["cond-mat.mtrl-sci"],"primary_cat":"cond-mat.str-el","authors_text":"K.-W. Lee, Seo-Jin Kim","submitted_at":"2019-02-27T07:03:51Z","abstract_excerpt":"Using ab initio calculations based on the correlated band theory, we have investigated the quasi-one-dimensional chain system $\\beta$-V$_2$O(PO$_4$), showing both charge and spin orderings. Even in the uncorrelated region, the pure transition from the tetragonal to the monoclinic structure leads to a sizable charge difference between the two types of V ions, regardless of magnetic orders. In the ferrimagnetic phase, inclusion of the on-site Coulomb repulsion $U$ leads to a full orbital-polarization of V1 ($t_{2g}^{3\\uparrow}$, $S=\\frac{3}{2}$) and V2 ($a_{1g}^{1\\downarrow}e_g^{\\prime{1\\downarr"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1902.10359","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":""},"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"}