{"paper":{"title":"Charge Transfer and Zhang-Rice Singlet Bands in the Nickelate Superconductor $\\mathrm{La_3Ni_2O_7}$ under Pressure","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":["cond-mat.supr-con"],"primary_cat":"cond-mat.str-el","authors_text":"Dao-Xin Yao, Meng Wang, W\\'ei W\\'u, Zhihui Luo","submitted_at":"2023-07-11T17:51:18Z","abstract_excerpt":"Recently, a bulk nickelate superconductor $\\mathrm{La_3Ni_2O_7}$ is discovered at pressures with a remarkable high transition temperature $T_c \\sim 80K$. Here, we study a Hubbard model with tight-binding parameters derived from \\textit{ab initio} calculations of $\\mathrm{La_3Ni_2O_7}$, by employing large scale determinant quantum Monte Carlo and cellular dynamical mean-field theory. Our result suggests that the superexchange couplings in this system are comparable to that of cuprates. The system is a charge transfer insulator as hole concentration becomes four per site at large Hubbard $U$. Up"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2307.05662","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/2307.05662/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"}