Calculated optical absorption spectra of Ni2+-bearing compounds |
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| Authors: | S. Rossano Ch. Brouder M. Alouani M. -A. Arrio |
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| Affiliation: | (1) Laboratoire de Minéralogie-Cristallographie Universités Paris VI et VII, Tour 16, case courrier 115 4 place Jussieu 75252 Paris cedex 05, France e-mail: rossano@lmcp.jussieu.fr Fax: +33(0)144273785, FR;(2) LURE, Batiment 209d Université Paris sud 91405 Orsay, France, FR;(3) IPCMS-GEMM 23 rue du Loess, 67037 Strasbourg, FR;(4) Earth Sciences Department University of Cambridge CB2 3EQ Cambridge, UK, GB |
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| Abstract: | The transition energies responsible for optical absorption spectra can be obtained by crystal-field analysis, but the transition intensities are notoriously difficult to calculate. This paper examines the basic ingredients of the calculation of optical spectrum intensities. Magnetic dipole and electric quadrupole transitions intensities are evaluated, as well as the direct d(Ni2+) to p(O2−) electric dipole transitions. All these contributions are shown to be small in the optical range, so that spectral intensities are due to the mixing of odd orbitals with the Ni2+ 3d n states. Received: 11 November 1997 / Revised, accepted: 6 September 1999 |
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| Keywords: | Optical absorption Cross sections Transition metals |
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