Influence of Cation Size on the Electronic and Magnetic Structure of M CoO3 (M = Bi, La) from Ab Initio Calculations
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DOI: 10.1007/s10948-017-4539-x
Abstract: Using the first-principle DFT method and LSDA+ U calculations, we have performed a detailed investigation on the structural and magnetic ground states of strongly correlated M CoO3 (M= Bi, La) perovskites. Magneticphase stabilities, structural behaviors… read more here.
Keywords: cation size; coo3; electronic magnetic; structure ... See more keywords