Stabilized Charge, Spin, and Orbital Ordering by the 6s2 Lone Pair in Bi0.5Pb0.5MnO3

Stabilized Charge, Spin, and Orbital Ordering by the 6s2 Lone Pair in Bi0.5Pb0.5MnO3

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科学技術創成研究院フロンティア材料研究所東正樹教授、松田雅昌特定教授(Neutron Scattering Division, Oak Ridge National Laboratory)との共著論文
“Stabilized Charge, Spin, and Orbital Ordering by the 6s2 Lone Pair in Bi0.5Pb0.5MnO3”
が、ACS Publicationsに掲載されました。doi.org/10.1021/acs.inorgchem.0c01748

<Abstract>
Bi and Pb ions with charge degree of freedom depending on 6s2 and 6s0 electronic configurations were combined with the Mn ion in a perovskite oxide. Comprehensive theoretical and experimental investigations revealed the Bi3+0.5Pb2+0.5Mn3+0.5Mn4+0.5O3 charge ordered state with CE-type spin and dz2 orbital orderings as observed in La0.5Ca0.5MnO3, Nd0.5Sr0.5MnO3, and Bi0.5Sr0.5MnO3. The charge and orbital orderings were preserved above 500 K owing to the stereochemical activity of Bi3+ and Pb2+ ions which stabilized the structural distortion.