材料期刊网

The g factors of a tetragonally-compressed Cu2+ center in NaCl: Cu+ crystal X-irradiated at room temperature are calculated from the high-order perturbation formulas based on the two-mechanism model. In the model, the contribution to g factors from both crystal-field (CF) and charge-transfer (CT) mechanisms are included. The calculations are based on the defect model that the tetragonally-compressed Cu(2+)center is assigned to the Cu2+ ion (which is caused by Cu+ ion (at the Na+ site) irradiated by X-ray) associated with a nearest Na+ ion vacancy V-Na along C-4 axis due to charge compensation. From the calculations, the g factors g(parallel to) and g(perpendicular to) are explained and the defect structure (charactering by the displacement Delta Z of the Cl- ion intervening in Cu2+ and V-Na) of the Cu2+ (or Cu2+-V-Na) center is obtained. The results are discussed. (C) 2011 Elsevier B.V. All rights reserved.