{"paper":{"title":"Constrained DFT+$U$ approach for understanding the magnetic behaviour of ACr$_{2}$O$_{4}$ (A=Zn, Mg, Cd and Hg) compounds","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.str-el","authors_text":"Sohan Lal, Sudhir K. Pandey","submitted_at":"2016-07-25T12:02:40Z","abstract_excerpt":"In this work, we try to understand the inconsistency reported by [Yaresko, Phys. Rev. B. {\\bf 77}, 115106 (2008)] in the theoretically estimated nature and the variation of magnitude of nearest neighbour exchange coupling constant ($\\arrowvert${\\it J$_{1}$}$\\arrowvert$) with increasing $U$ in ACr$_{2}$O$_{4}$ (A=Zn, Cd, Mg and Hg) compounds by using density functional theory. In unconstrained calculations, the nature and variation of $\\arrowvert${\\it J$_{1}$}$\\arrowvert$ as a function of $U$ in the present study are not consistent with the experimental data and not according to the relation, {"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1607.07225","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"}