材料期刊网

By using the complete diagonalization of energy matrix of 3d(1) ions in trigonal symmetry, the EPR parameters (g factors g(parallel to), g(perpendicular to) 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. (C) 2006 Elsevier B.V. All rights reserved.