{"paper":{"title":"Revealing Short- and Long-range Li-ion diffusion in Li$_2$MnO$_3$ from finite-temperature dynamical mean field theory","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":["cond-mat.str-el"],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Alex Taekyung Lee, Anh T. Ngo, Kristin A. Persson","submitted_at":"2026-02-02T21:04:18Z","abstract_excerpt":"Li$_2$MnO$_3$ is a key component of Li-excess layered cathodes of the form $(1-x),\\mathrm{LiMO_2} + x,\\mathrm{Li_2MnO_3}$ ($M$ = Mn, Ni, Co, \\dots), yet its role in setting Li-ion transport limitations remains under debate. Here we combine DFT+$U$, finite-temperature DFT+DMFT with a continuous-time quantum Monte Carlo impurity solver, and nudged-elastic-band (NEB) calculations to study Li$^{+}$ migration in paramagnetic Li$_2$MnO$_3$ in the presence of a single Li vacancy. Evaluating DMFT total energies along the DFT+$U$ NEB geometries reveals that dynamical correlations strongly renormalize t"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2602.02807","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/2602.02807/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"}