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Crystal Field Analysis, Electron-phonon Coupling and Spectral Band Shape Modeling in MgO:Cr3+

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Crystal Field Analysis, Electron-phonon Coupling and Spectral Band Shape Modeling in MgO:Cr

3+

Mikhail G. Brik

Fukui Institute for Fundamental Chemistry, Kyoto University, 34-4 Takano Nishihiraki-cho, Sakyo-ku, Kyoto 606-8103, Japan

Reprint requests to Dr. M. G. B.; E-mail: brik@fukui.kyoto-u.ac.jp Z. Naturforsch. 60a, 437 – 443 (2005); received August 4, 2004

A crystal field analysis of the energy level structure of Cr3+in MgO crystal is performed, using the exchange charge model of the crystal field theory. The crystal field parameters acting on the optical electrons of Cr3+ are calculated from the crystal structure data; good agreement between the calculated and observed energy levels of Cr3+in the title host is demonstrated. The Stokes shift S=5.9 and the energy of the phonons effectively interacting with the impurity center ¯hω=405 cm−1 are derived from the experimental spectra of absorption and emission. The obtained values of S and

¯hω were used for the computer modeling of the Cr3+ 4T2g→4A2g emission and4A2g→4T2g

absorption bands. From this modeling, the zero-phonon energy for the considered transitions was estimated to be 14,000 cm−1.

Key words: Crystal Field Theory; 3d-Ions; Electron-phonon Coupling.

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