{"paper":{"title":"$J_{eff}$ states in a quasi one dimensional antiferromagnetic spin chain hexagonal Iridates Sr$_3$MIrO$_6$ (M=Mg, Zn, Cd): an $ab-initio$ comparative perspective","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":["cond-mat.mtrl-sci"],"primary_cat":"cond-mat.str-el","authors_text":"Roumita Roy, Sudipta Kanungo","submitted_at":"2024-03-27T09:51:47Z","abstract_excerpt":"We employ first-principles density-functional theory, to perform a comparative investigation of the effect of the spin-orbit coupling (SOC) on the electronic and magnetic properties of three experimentally synthesized and characterized hexagonal perovskites Sr$_3$MIrO$_6$(M=Mg, Zn, Cd). The electronic structure calculations show that in all the compounds, Ir is the only magnetically active site in +4[5$d^5$] configuration, whereas M$^{+2}$ (M=Cd, Zn, Mg), remains in nonmagnetic states with Cd/Zn and Mg featuring $d^{10}$ and $d^{0}$ electronic configurations, respectively. The insulating gap c"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2403.18408","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":""},"integrity":{"clean":true,"summary":{"advisory":0,"critical":0,"by_detector":{},"informational":0},"endpoint":"/pith/2403.18408/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"}