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Theoretical Study of Energy Spectra and g Factors of Cr～（3+） Doped KAl（MoO4）2 Crystal and YAl3（BO3）4 Crystal

Author: ZhouHuaBin
Tutor: ZhangJiPing
School: Sichuan University
Course: Theoretical Physics
Keywords: Crystal field Spectroscopy g-factor Electron paramagnetic resonance
CLC: O481
Type: Master's thesis
Year: 2007
Downloads: 19
Quote: 0
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Abstract


Using strong field programs and triangular base , through diagonalization triangle distorted octahedral field under d 3 complete energy matrix , calculated the KA1 (MoO 4 ) 2 : Cr 3 and YAl 3 (BO 3 ) 4 : Cr 3 of the spectrum and wave functions . Use complete energy matrix diagonalization wave functions obtained , further calculations of KA1 (MoO 4 ) 2 : Cr 3 and YAl 3 (BO 3 ) 4 : Cr 3 g factor of the ground state . Calculated results and spectra , EPR spectra agree well with the experimental data . Research shows that the use of full energy matrix diagonalization wave functions obtained g-factor calculations made for the entire theoretical calculation and attribution of the wave function provides an important criterion , fully embodies the energy spectrum and g factor of importance for Unified Computing and necessity . Furthermore , for YAl 3 (BO 3 ) 4 : Cr 3 , the adjustable parameters were calculated on the level of contribution , clearly , quantitatively shows the energy level splitting or physical origin .

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