A study of the spin-Hamiltonian parameters for the trigonal Sm3+ center in La2Mg3(NO3)(12)·24H2O crystal

Abstract

This paper reports a theoretical calculation of spin-Hamiltonian parameters (g factors g//, g⊥ and hyperfine structure constants 147A//, 147A⊥, 149A//, 149A⊥) for 147Sm3+ and 149Sm3+ isotopes in the trigonal La3+ site of La2Mg3(NO3)(12)·24H2O crystal from a diagonalization (of energy matrix) method. In the method, the Hamiltonian concerning the energy matrix includes the Zeeman and hyperfine interaction terms and so there is no perturbation calculation in it. The crystal-field parameters in the energy matrix are calculated using the superposition model, in which the structural data of 12-fold coordinated site rather than those of the incorrect 6-fold coordinated site given in the previous paper are applied. The calculated results are in reasonable agreement with the experimental results. The results are discussed.