Theoretical Studies of Energy Spectra and g Factors of Cr3＋-Doped YAl3（BO3）4  

作　　者：ZHANG Ji-Ping CHEN Gang ZHOU Hua-Bin 

机构地区：[1]College of Physical Science and Technology, Sichuan University, Chengdu 610065, China

出　　处：《Communications in Theoretical Physics》2006年第6期1121-1125,共5页理论物理通讯（英文版）

基　　金：The author would like to thank professor Ma DongPing for his kind guidance and helpful discussions.

摘　　要：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.

关 键 词：crystal fields energy spectrum g factor electronic paramagnetic resonance 

分 类 号：O7[理学—晶体学]