2013/02/18 by Makoto Fukuzawa, Fukuzawa, Makoto, Daiki Ootsuki +4
Materials Science · Physics and Astronomy · #Advanced Condensed Matter Physics #FOS: Physical sciences #Magnetic and transport properties of perovskites and related materials #Multiferroics and related materials #Strongly Correlated Electrons (cond-mat.str-el) #cond-mat.str-el
paper · pdf · doi:10.48550/arxiv.1302.4197
5 pages, 4 figures
arxiv created 2013/02/18 · openalex publication_date 2013/02/18 · arxiv updated 2013/02/19 · openalex created_date 2019/06/27 · openalex updated_date 2026/07/28
We investigate spin-charge-orbital ordering in a Mn3+/Mn4+ mixed valence state on a hollandite-type lattice using unrestricted Hartree-Fock calculation on a multi-band Mn 3d-O 2p lattice model. The calculations show that the Mn3+-Mn4+ double exchange interaction, the Mn3+-Mn3+ and Mn4+-Mn4+ superexchange interactions are ferromagnetic and play important roles to stabilize the charge and orbital ordering pattern. The most stable charge and orbital ordering pattern is consistent with the 1×1×1 orthorhombic or monoclinic structure of K1.6Mn8O16.