5 years ago

Covalency Competition in the Quadruple Perovskite CdCu3Fe4O12

Covalency Competition in the Quadruple Perovskite CdCu3Fe4O12
Hidekazu Ikeno, Naoaki Hayashi, Ikuya Yamada, Akihiko Takamatsu
We demonstrate high-pressure synthesis, crystal structure, and properties of a new quadruple perovskite CdCu3Fe4O12. CdCu3Fe4O12 undergoes a charge disproportionation of Fe ions without charge ordering below ∼200 K. First-principle calculations and Mössbauer spectroscopy display that covalent Cd−O bonds effectively suppress the Fe−O bond covalency, resulting in an electronic state different from that of the isoelectronic compound CaCu3Fe4O12. This finding proposes covalency competition among constituent metal ions dominating electronic states of complex metal oxides.

Publisher URL: http://dx.doi.org/10.1021/acs.inorgchem.7b01405

DOI: 10.1021/acs.inorgchem.7b01405

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