Sarma, D. D. ; Santra, A. K. ; Rao, C. N. R. (1994) Electronic structures of perovskite oxides of transition metals of the type LaMO3 (M=Ti-Ni) as revealed by MSXα investigations Journal of Solid State Chemistry, 110 (2). pp. 393-396. ISSN 0022-4596
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Official URL: http://www.sciencedirect.com/science/article/pii/S...
Related URL: http://dx.doi.org/10.1006/jssc.1994.1185
Abstract
Systematic investigations of the electronic structures of MO9−6 (M=Ti-Ni) clusters, as in the LaMO3 type perovskite oxides, have been carried out by employing the multiple-scattering Xα(MSXα) 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: | Article |
|---|---|
| Source: | Copyright of this article belongs to Elsevier Science. |
| ID Code: | 43430 |
| Deposited On: | 11 Jun 2011 12:43 |
| Last Modified: | 16 Jul 2012 07:12 |
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