title: Studies of the spin-Hamiltonian parameters and defect structures for the tetragonal and cubic Yb3+ centers in AgCl crystal.
abstract: 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.
authors.affiliation: Department of Material Science, Sichuan University, Chengdu, PR China. zhengwc1@163.com
authors.forename: Zheng
authors.initials: Z
authors.lastname: Wen-Chen
authors.forename: Liu
authors.initials: L
authors.lastname: Hong-Gang
authors.forename: Su
authors.initials: S
authors.lastname: Ping
authors.forename: Yang
authors.initials: Y
authors.lastname: Yu-Guang
mesh_terms: D003460:Crystallization; D004578:Electron Spin Resonance Spectroscopy; D008956:Models, Chemical; D018030:Silver Compounds / Q000737:chemistry*; D013113:Spin Labels; D015018:Ytterbium / Q000737:chemistry*
chemical_list: D018030:Silver Compounds; D013113:Spin Labels; D015018:Ytterbium; C037548:silver chloride