{"paper":{"title":"Validation of density functionals for transition metals and intermetallics using data from quantitative electron diffraction","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Andreas Kulovits, Guofeng Wang, Jorg Wiezorek, Xiahan Sang","submitted_at":"2012-10-23T21:06:51Z","abstract_excerpt":"Accurate low-order structure factors (Fg) measured by quantitative convergent beam electron diffraction (QCBED) were used for validation of different density functional theory (DFT) approximations. 23 low-order Fg were measured by QCBED for the transition metals Cr, Fe, Co, Ni, and Cu, and the transition metal based intermetallic phases {\\gamma}-TiAl, {\\beta}-NiAl and {\\gamma}1-FePd using a multi-beam off-zone axis (MBOZA) method and then compared with Fg calculated ab-initio by DFT using the local spin density approximation (LDA) and LDA+U, and different generalized gradient approximations (G"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1210.6381","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"}