Investigation of the spin-Hamiltonian parameters for the trigonal U5+ center in CaF2 crystal

Abstract

The spin-Hamiltonian parameters (g factor g(//), g(perpendicular) and hyperfine structure constants A(//), A(perpendicular)) of the trigonal U(5+) center in CaF(2) crystal have been calculated from the complete diagonalization (of energy matrix) method (CDM) for 5f(1) ions in trigonal crystal field and under an external magnetic field. In the calculation, the crystal-field parameters are estimated from the superposition model. From the calculations, these spin-Hamiltonian parameters are reasonably explained, and the defect model (i.e., the trigonal U(5+) center is attributed to U(5+) substituting for Ca(2+) in CaF(2) with six F(-) ions replaced by O(2-) and the other two F(-) sites vacant because of charge compensation) given in the previous paper is confirmed. The results are discussed.