Studies of the spin-Hamiltonian parameters and defect structures for the tetragonal and cubic Yb3+ centers in AgCl...

The spin-Hamiltonian parameters, g factors and hyperfine structure constants, for the tetragonal and cubic Yb(3+) centers in AgCl crystal are calculated from the complete diagonalization (of energy matrix) method. The calculations are based on the defect models that the tetragonal Yb(3+) center is formed by the substitutional Yb(3+) associated with two nearest Ag(+) vacancy (V(Ag)) along <001> and <001¯> axes (i.e., C(4) axis) owing to charge compensation and in cubic Yb(3+) center the two compensators V(Ag) are remote. From the calculations, the spin-Hamiltonian parameters of both Yb(3+) centers in AgCl are explained reasonably, the signs of hyperfine structure constants A(i)((171)Yb(3+)) and A(i)((173)Yb(3+)) are suggested, the above defect models of both Yb(3+) centers are confirmed and their defect structures are determined.