J4 ›› 2008, Vol. 43 ›› Issue (5): 24-26 .doi:

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Theoretical study of electron paramagnetic resonance of Cr3+ ions in AlBr3·6H2O crystals

WANG Min-jie, ZHU Lian-xuan*, LIN Ai-ying   

  1. College of Sciences, Henan Agricultural University, Zhengzhou 450002, Henan, China
  • Received:1900-01-01 Revised:1900-01-01 Online:2006-10-24 Published:2006-10-24
  • Contact: WANG Min-jie

Abstract:

According to the semi-SCF d-orbit radial function, the point-charge model and the third-order perturbation formulae, the g-factors(g=1.9707) and the zero-field splitting D(D=-0.0323) were calculated, and the calculated results are in good agreement with the experimental results(experimental values g=1.976±0.001, D=-0.032?5±0.0001). The bond length R=(Cr3+—O2+)=0.191nm is rational. The angle increases a little (the increment  0.35°) after the Cr3+ replace the Al3+in AlBr3·6H2O crystals.

Key words: AlBr3·6H2O:Cr3+; spin-orbit coupling; electron paramagnetic resonance(EPR); crystal field structure

CLC Number: 

  • O737
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