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Journal Article

A-Site and B-Site Charge Orderings in an s-d Level Controlled Perovskite Oxide PbCoO3

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Hu,  Zhiwei
Zhiwei Hu, Physics of Correlated Matter, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Citation

Sakai, Y., Yang, J., Yu, R., Hojo, H., Yamada, I., Miao, P., et al. (2017). A-Site and B-Site Charge Orderings in an s-d Level Controlled Perovskite Oxide PbCoO3. Journal of the American Chemical Society, 139(12), 4574-4581. doi:10.1021/jacs.7b01851.


Cite as: https://hdl.handle.net/11858/00-001M-0000-002D-21DE-B
Abstract
Perovskite PbCoO3 synthesized at 12 GPa was found to have an unusual charge distribution of Pb(2+)Pb(3)(4+)Co(2+)2Co(2)(3+)O(12) with charge orderings in both the A and B sites of perovskite ABO(3). Comprehensive studies using density functional theory (DFT) calculation, electron diffraction (ED), synchrotron X-ray diffraction (SXRD), neutron powder diffraction (NPD), hard X-ray photoemission spectroscopy (HAXPES), soft X-ray absorption spectroscopy (XAS), and measurements of specific heat as well as magnetic and electrical properties provide evidence of lead ion and cobalt ion charge ordering leading to Pb2+Pb34+Co22+Co23+O12 quadruple perovskite structure. It is shown that the average valence distribution of Pb3.5+Co2.5+O3 between Pb3+Cr3+O3 and Pb4+Ni2+O3 can be stabilized by tuning the energy levels of Pb 6s and transition metal 3d orbitals.