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cond-mat.str-el2015★ 27 cited
First-principles study of crystal and electronic structure of rare-earth cobaltites
M. Topsakal, C. Leighton, R. M. Wentzcovitch
Using density functional theory plus self-consistent Hubbard (DFT) calculations, we have investigated the structural and electronic properties of the rare-earth cobalt…
cond-mat.mtrl-sci2015
Iron spin crossover and its influence on post-perovskite transitions in MgSiO and MgGeO
Gaurav Shukla, Mehmet Topsakal, Renata M. Wentzcovitch
MgGeO-perovskite is known to be a low-pressure analog of MgSiO-perovskite in many respects, but especially in regard to the post-perovskite transition. As such, investigati…