{"paper":{"title":"Magnetic states of iron-based superconducting compounds calculated by using GGA$+U$ method with negative \\emph{U}","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["cond-mat.mtrl-sci"],"primary_cat":"cond-mat.str-el","authors_text":"Jae Kyung Jang, Joo Yull Rhee","submitted_at":"2014-07-19T00:55:54Z","abstract_excerpt":"The magnetic moments per Fe atom in high-$T{_\\textrm{c}}$ iron-based superconducting compounds, BaFe$_{2}$As$_{2}$ and LaFeAsO obtained from the first-principles calculation with local-spin-density approximation are much larger than those obtained from experiments. To resolve the contradictory results between theory and experiment we employed the so-called LDA$+ U$ (or more exactly GGA$+ U$) technique with negative \\emph{U} in the first-principles calculation. The calculated values with negative \\emph{U}, $- 0.09$ Ry and $- 0.10$ Ry for BaFe$_{2}$As$_{2}$ and LaFeAsO, respectively, are in exce"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1407.5137","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"}