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cond-mat.mtrl-sci2020★ 15 cited
Local polarization in oxygen-deficient LaMnO induced by charge localization in the Jahn-Teller distorted structure
Chiara Ricca, Nicolas Niederhauser, Ulrich Aschauer
The functional properties of transition metal perovskite oxides are known to result from a complex interplay of magnetism, polarization, strain, and stoichiometry. Here, we show th…
cond-mat.mtrl-sci2020★ 4 cited
Self-consistent DFT++ study of oxygen vacancies in SrTiO
Chiara Ricca, Iurii Timrov, Matteo Cococcioni +2
Contradictory theoretical results for oxygen vacancies in SrTiO (STO) were often related to the peculiar properties of STO, which is a transition metal oxide with mixed i…