{"paper":{"title":"Calculating branching ratio and spin-orbit coupling from first-principles: A formalism and its application to iridates","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.str-el","authors_text":"Hongkee Yoon, Jae-Hoon Sim, Myung Joon Han, Sang Hyeon Park","submitted_at":"2016-08-23T05:30:30Z","abstract_excerpt":"We present a simple technique to calculate spin-orbit coupling, $\\langle {\\bf L}\\cdot{\\bf S} \\rangle$, and branching ratio measured in x-ray absorption spectroscopy. Our method is for first-principles electronic structure calculation and its implementation is straightforward for any of standard formulations and codes. We applied this technique to several different large spin-orbit coupling iridates. The calculated $\\langle{ {\\bf L}\\cdot{\\bf S}} \\rangle$ and branching ratio of a prototype $j_{\\rm eff}$=1/2 Mott insulator, Sr$_2$IrO$_4$, are in good agreement with recent experimental data over t"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1608.06388","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"}