Chinese Journal of Magnetic Resonance ›› 1987, Vol. 4 ›› Issue (1): 47-52.

Previous Articles     Next Articles

THE FORMULAS OF EPR FOR d8 CONFIGURATION IN TRIGONAL CRYSTAL FIELD AND APPLICATION

Bai Guiru, Xiong Quan   

  1. Physics Department, University of Science and Technology of China
  • Received:1986-08-07 Revised:1986-10-09 Published:1987-03-05 Online:2018-01-22

Abstract: The high order perturbation formulas of EPR parameters for d8 configuration in trigonal crystal field are derived.In our formulas, the contributions due to all excited states including singlets are considered. g > g|| or g < g|| and D > 0 or D< 0 are explained as due to the expanding or contracting of ligands along C3-axis. The formula obtained is applied to deal with EPR parameters of NiCl2 and NiSiF6·6H20 crystals.The agreement of theoretical calculation with experiment shows that the theoretical calculated values are good.

Key words: zero-field split, zero-field split, trigonal crysfal field, d8 configuration