title: Studies of the spin-Hamiltonian parameters and defect structures for Gd3+ ions in zircon-structure silicates MSiO4 (M=Zr, Hf, Th).
abstract: The spin-Hamiltonian parameters (g factors g∥, g⊥ and zero-field splittings b2(0), b4(0), b4(4), b6(0), b6(4)) for 4f7 ion Gd3+ at the tetragonal M4+ site of zircon-structure silicates MSiO4 (M=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 56×56 energy matrix is constructed by considering the ground multiplet 8S7/2 and the excited multiplets 6L7/2 (L=P, D, F, G, H, I). The defect structures of Gd3+ centers in the three MSiO4 crystals are yielded from the calculation. The results are discussed.
authors.affiliation: Department of Material Science, Sichuan University, Chengdu 610064, People's Republic of China.
authors.forename: Wei-Qing
authors.initials: WQ
authors.lastname: Yang
authors.forename: Wen-Chen
authors.initials: WC
authors.lastname: Zheng
mesh_terms: D004578:Electron Spin Resonance Spectroscopy; D005682:Gadolinium / Q000737:chemistry*; D006195:Hafnium / Q000737:chemistry*; D008956:Models, Chemical; D017640:Silicates / Q000737:chemistry*; D017970:Thorium Compounds / Q000737:chemistry*; D015040:Zirconium / Q000737:chemistry*
chemical_list: D017640:Silicates; D017970:Thorium Compounds; C003784:zircon; D005682:Gadolinium; D015040:Zirconium; D006195:Hafnium