{"paper":{"title":"Role of Square Planar Coordination in the Magnetic Properties of Na4IrO4","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.str-el","authors_text":"Carmine Autieri, Kunihiko Yamauchi, Silvia Picozzi, Xing Ming","submitted_at":"2017-07-13T10:12:07Z","abstract_excerpt":"Iridates supply fertile grounds for unconventional phenomena and exotic electronic phases. With respect to well-studied octahedrally-coordinated iridates, we pay our attention to a rather unexplored iridate, Na4IrO4, showing an unusual square-planar coordination. The latter is key to rationalize the electronic structure and magnetic property of Na4IrO4, which is here explored by first-principles density functional theory and Monte Carlo simulations. Due to the uncommon square-planar crystal field, Ir 5d states adopt intermediate-spin state with double occupation of dz2 orbital, leading to a si"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1707.04052","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"}