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Optical spectra of nickelates and charge-transfer transitions

✍ Scribed by A.V. Zenkov

Publisher
Elsevier Science
Year
2007
Tongue
English
Weight
159 KB
Volume
392
Category
Article
ISSN
0921-4526

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✦ Synopsis

Specific features of the charge-transfer (CT) states and O 2p ! Ni 3d CT transitions in the octahedral Γ°NiO 6 Þ 10Γ€ complex are considered in the cluster approach. The reduced matrix elements (RMEs) of the electric-dipole transition operator are calculated on many-electron wave functions of the complex corresponding to the initial and final states of a CT transition.

Modelling the optical spectrum of nickelates has yielded a complicated CT band. The model spectrum is in satisfactory agreement with experimental data which demonstrates the limited validity of the generally accepted concept of a simple structure of CT spectra.

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