Influence of Cation Size on the Electronic and Magnetic Structure of M CoO3 (M = Bi, La) from Ab Initio Calculations
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Superconductivity and Novel Magnetism"
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
Wide band gap thiophosphates ASrPS4 (A = Li, Na, K, Rb, Cs): cation size effect induced successive structural transformation.
Sign Up to like & getrecommendations! Published in 2022 at "Dalton transactions"
DOI: 10.1039/d2dt02321k
Abstract: Metal thiophosphates have aroused much research interest due to their structural chemistry and possible applications as infrared functional materials. In this study, five quaternary Sr-based alkali metal thiophosphates ASrPS4 (A = Li, Na, K, Rb,… read more here.
Keywords: band gap; wide band; thiophosphates asrps4; cation size ... See more keywords