{"paper":{"title":"Microscopic magnetic modeling for the $S$=1/2 alternating chain compounds Na$_3$Cu$_2$SbO$_6$ and Na$_2$Cu$_2$TeO$_6$","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.str-el","authors_text":"H. Rosner, J. Richter, M. Schmidt, M. Schmitt, O. Janson, S. Golbs, W. Schnelle","submitted_at":"2014-02-05T17:04:56Z","abstract_excerpt":"The spin-1/2 alternating Heisenberg chain system Na$_3$Cu$_2$SbO$_6$ features two relevant exchange couplings: $J_{1a}$ within the structural Cu$_2$O$_6$ dimers and $J_{1b}$ between the dimers. Motivated by the controversially discussed nature of $J_{1a}$, we perform extensive density-functional-theory (DFT) calculations, including DFT+$U$ and hybrid functionals. Fits to the experimental magnetic susceptibility using high-temperature series expansions and quantum Monte Carlo simulations yield the optimal parameters $J_{1a}$ = $-$217 K and $J_{1b}$ = 174 K with the alternation ratio $\\alpha = J"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1402.1091","kind":"arxiv","version":2},"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"}