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Electronic Structures of Perovskite Oxides of Transition Metals of the Type $LaMO_3 \hspace {2mm}(M = Ti-Ni)$ as Revealed by MSX\alpha Investigations

Sarma, DD and Santra, AK and Rao, CNR (1994) Electronic Structures of Perovskite Oxides of Transition Metals of the Type $LaMO_3 \hspace {2mm}(M = Ti-Ni)$ as Revealed by MSX\alpha Investigations. In: Journal of Solid State Chemistry, 110 (2). pp. 393-396.

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Abstract

Systematic investigations of the electronic structures of $MO^{9-}_6 \hspace {2mm} (M = Ti-Ni)$ clusters, as in the $LaMO_3$ type perovskite oxides, have been carried out by employing the multiple-scattering X\alpha (MSX\alpha) method. The crystal-field splitting of the metal d level is found to increase, while the oxygen-to-metal charge-transfer energy decreases across the transition metal series. Systematic trends are also seen in the mixing (covalency) between the metal d and the oxygen 2p orbitals in the series.

Item Type: Journal Article
Additional Information: The copyright of this article belongs to Elsevier.
Department/Centre: Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Date Deposited: 21 Aug 2006
Last Modified: 19 Sep 2010 04:30
URI: http://eprints.iisc.ernet.in/id/eprint/8064

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