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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Laboratory for Materials and Structures, IIR,Tokyo Institute of Technology Professor  Masaki Azuma, Visiting Professor Masaaki Matsuda (Neutron Scattering Division, Oak Ridge National Laboratory)
“Stabilized Charge, Spin, and Orbital Ordering by the 6s2 Lone Pair in Bi0.5Pb0.5MnO3”
ACS Publications 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.