材料期刊网

The spin-Hamiltonian parameters (g factors g(parallel to), g(perpendicular to), and zero-field splittings b(2)(0), b(4)(0), b(4)(4), b(6)(0), b(6)(4)) for 4f(7) ion Gd(3+) at the tetragonal M(4+) site of zircon-structure silicates MSiO(4) =Zr, Hf, Th) are calculated from a diagonalization (of energy matrix) method. The Hamiltonian concerning this energy matrix contains the free-ion, crystal-field interaction and Zeeman interaction terms and the 56 x 56 energy matrix is constructed by considering the ground multiplet (8)S(7/2) and the excited multiplets (6)L(7/2) (L = P, D. F. G, H, I). The defect structures of Gd(3+) centers in the three MSiO(4) crystals are yielded from the calculation. The results are discussed. (C) 2011 Elsevier B.V. All rights reserved.