Tuning the correlation strength via cation order in double perovskites
ORAL
Abstract
A2BB'O6 double perovskites often behave very differently than their parent compounds. This can lead to phenomena such as frustrated magnetism or half metallicity, which are often driven by inter-cationic charge transfer. In this talk, we study the V-Nb double perovskites, where V and Nb ions attain different valences despite coming from the same column in the periodic table. By performing first principles Density Functional Theory + Dynamical Mean Field Theory (DFT+DMFT) calculations, we show that the interplay of cation order and this charge transfer affect the electronic structure of Sr2VNbO6 in a very interesting way, and gives rise to a phase diagram that includes correlated Hund's metallic, as well as Mott insulating phases.
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Presenters
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Turan Birol
Chemical Engineering and Materials Science, University of Minnesota Twin Cities, University of Minnesota, Department of Chemical Engineering and Materials Science, University of Minnesota, University of Minnesota, Department of Chemical Engineering and Materials Science
Authors
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Turan Birol
Chemical Engineering and Materials Science, University of Minnesota Twin Cities, University of Minnesota, Department of Chemical Engineering and Materials Science, University of Minnesota, University of Minnesota, Department of Chemical Engineering and Materials Science
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Arpita Paul
University of Minnesota