title: Investigations of EPR parameters for the trigonal Ti3+-Ti3+ pair in beryl crystal.
abstract: By using the complete diagonalization of energy matrix of 3d1 ions in trigonal symmetry, the EPR parameters (g factors g( parallel), g( perpendicular) and zero-field splitting D) of the trigonal Ti3+-Ti3+ pair in beryl crystal are calculated. In the calculations, the exchange interaction in the Ti3+-Ti3+ pair is taken as the perturbation and the local trigonal distortion in the defect center is considered. The results (which are in agreement with the experimental values) are discussed.
authors.affiliation: Department of Material Science, Sichuan University, Chengdu 610064, People's Republic of China.
authors.forename: Fang
authors.initials: F
authors.lastname: Wang
authors.forename: Wen-Chen
authors.initials: WC
authors.lastname: Zheng
mesh_terms: D000538:Aluminum Silicates / Q000737:chemistry*; D001608:Beryllium / Q000737:chemistry*; D003460:Crystallization; D004578:Electron Spin Resonance Spectroscopy; D014025:Titanium / Q000737:chemistry*
chemical_list: D000538:Aluminum Silicates; C411138:beryl; D014025:Titanium; D001608:Beryllium