With the strong-field scheme and trigonal bases, by diagonalizing the complete d^3 energy matrix in a trigonally distorted cubic-field, the energy spectra and wavefunctions of YAl3（BO3）4：Cr^3＋ have been calculated...With the strong-field scheme and trigonal bases, by diagonalizing the complete d^3 energy matrix in a trigonally distorted cubic-field, the energy spectra and wavefunctions of YAl3（BO3）4：Cr^3＋ have been calculated. The rates of change of levels with respect to various parameters and the contributions to levels from various parameters are calculated, and the physical origins of various levels or splittings have been clearly and quantitatively shown. By using the wavefunctions obtained from diagonalizing the complete energy matrix, the g factors of the ground state of YAl3 （BO3 ）4;Cr^3＋ have been evaluated. The calculated results are in good agreement with the optical-spectral and EPR experimental data. It is demonstrated that the bonding between Cr^3＋ and ligands （O^2-） is ionic.展开更多
With the strong-field scheme and trigonal bases, the complete d3 energy matrix in a trigonally distorted cubic-field has been constructed. By diagonalizing this matrix, the energy spectrum of YGG：Cr^3＋ at normal pre...With the strong-field scheme and trigonal bases, the complete d3 energy matrix in a trigonally distorted cubic-field has been constructed. By diagonalizing this matrix, the energy spectrum of YGG：Cr^3＋ at normal pressure and low temperature has been calculated. The g factor of the ground-state has been evaluated in terms of the energy spectrum. At the same time, by using the wavefunctions obtained from diagonalizing the complete d^3 energy matrix and Thermal Shifts theory, we calculate the thermal shifts of the sharp lines of YGG：Cr^3＋ and determine the relevant parameters. The calculated results are all in good agreement with the optical-spectrum and EPR experimental data. It is demonstrated that the obtained wavefunctions and the values of parameters are reasonable.展开更多
基金The author would like to thank professor Ma DongPing for his kind guidance and helpful discussions.
文摘With the strong-field scheme and trigonal bases, by diagonalizing the complete d^3 energy matrix in a trigonally distorted cubic-field, the energy spectra and wavefunctions of YAl3（BO3）4：Cr^3＋ have been calculated. The rates of change of levels with respect to various parameters and the contributions to levels from various parameters are calculated, and the physical origins of various levels or splittings have been clearly and quantitatively shown. By using the wavefunctions obtained from diagonalizing the complete energy matrix, the g factors of the ground state of YAl3 （BO3 ）4;Cr^3＋ have been evaluated. The calculated results are in good agreement with the optical-spectral and EPR experimental data. It is demonstrated that the bonding between Cr^3＋ and ligands （O^2-） is ionic.
基金supported by National Natural Science Foundation of China under Grant No.10775102
文摘With the strong-field scheme and trigonal bases, the complete d3 energy matrix in a trigonally distorted cubic-field has been constructed. By diagonalizing this matrix, the energy spectrum of YGG：Cr^3＋ at normal pressure and low temperature has been calculated. The g factor of the ground-state has been evaluated in terms of the energy spectrum. At the same time, by using the wavefunctions obtained from diagonalizing the complete d^3 energy matrix and Thermal Shifts theory, we calculate the thermal shifts of the sharp lines of YGG：Cr^3＋ and determine the relevant parameters. The calculated results are all in good agreement with the optical-spectrum and EPR experimental data. It is demonstrated that the obtained wavefunctions and the values of parameters are reasonable.
