Abstract
By using the defect model of Cu2+ at the substitutional tetrahedral site with tetragonal symmetry, the spin-Hamiltonian parameters g//, g⊥, A// and A⊥ of a Cu2+ center in CdSe nanocrystals are calculated from the high-order perturbation formulas based on the cluster approach. The calculated results are in reasonable agreement with the experimental values. However, in a previous paper, these spin-Hamiltonian parameters were also explained from the high-order perturbation formulas based on the cluster approach by using another defect model of the Cu2+ ion at the interstitial octahedral site with tetragonal symmetry in CdSe nanocrystals. So it may be impossible to determine the defect model of the Cu2+ center in CdSe nanocrystals by analyzing only the spin-Hamiltonian parameters obtained from EPR spectra. A possible method of absorption spectra in the range 4000–15,000cm−1 is suggested to determine the defect model of the Cu2+ center in CdSe nanocrystals.
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