2008/05/12 by V. Pardo, Víctor Pardo, S. Blanco-Canosa +6 · 60 citations
Chemical Engineering · Chemistry · Materials Science · Physics and Astronomy · #Advanced Condensed Matter Physics #Algorithm #Catalysis and Oxidation Reactions #Chemistry #Computer science #Crystallography #Delocalized electron #Magnetic and transport properties of perovskites and related materials #Materials science #Physics #Quantum mechanics #cond-mat.str-el
paper · pdf · doi:10.1103/physrevlett.101.256403
published in Physical Review Letters 101(25), 256403 (American Physical Society) · 5 pages, 3 figures, 1 table
arxiv created 2008/05/12 · openalex publication_date 2008/12/19 · arxiv updated 2009/12/01 · openalex created_date 2016/06/24 · openalex updated_date 2026/08/05
Electronic structure calculations for spinel vanadate ZnV2O4 show that partial electronic delocalization in this system leads to a structural instability, with the formation of V-V dimers along the [011] and [101] directions, and readily accounts for the intriguing magnetic structure of this material. The formation of V-V bonds is a consequence of the proximity to the itinerant-electron boundary and is not related to orbital ordering. We discuss how this mechanism naturally couples charge and lattice degrees of freedom in magnetic insulators close to such a crossover.