Theoretical calculation of EPR g factors for Ni(3+) ion at the interstitial site of SnO(2) crystal.
The EPR g factors g(x), g(y) and g(z) for Ni(3+) ion at the interstitial site in the rutile-type SnO(2) crystal are calculated from the second-order perturbation formulas of g factors based on the cluster approach for 3d(7) ion in rhombic symmetry. The calculated results are in agreement with the experimental values. The local lattice distortion induced by the impurity Ni(3+) at the interstitial site of SnO(2) is also estimated from the calculations. These results are discussed.
He
Lv
L
Department of Material Science, Sichuan University, Chengdu, PR China.
Wu
Xiao-Xuan
XX
Liu
Hong-Gang
HG
Zheng
Wen-Chen
WC
D003460:Crystallization; D004578:Electron Spin Resonance Spectroscopy; D008956:Models, Chemical; D009532:Nickel / Q000737:chemistry*; D017971:Tin Compounds / Q000737:chemistry*
D017971:Tin Compounds; D009532:Nickel; C045358:stannic oxide