材料期刊网

The electron paramagnetic resonance g factors g(parallel to) and g(perpendicular to) for the trigonal Er3+-V-K centers (where V-K denotes K+ vacancy) in KMF3 (M = Mg and Zn) are theoretically investigated from the perturbation formulas of the g factors for a 4f(11) ion in trigonal symmetry. In these formulas, the contributions to the g factors from the second-order perturbation terms and the admixture of various energy levels are taken into account. In the above trigonal centers, the impurity Er3+ resides in the octahedral M2+ site of both crystals, associated with one V-K in the C-3-axis due to charge compensation. By analyzing their g factors, we find that the impurity Er3+ in both centers would move towards the V-K by an amount DeltaZ along the C-3-axis due to electrostatic attraction. The calculated g factors for the Er3+ centers based on the above displacements DeltaZ show good agreement with the observed values. The validity of the results is discussed. (C) 2004 Elsevier B.V. All rights reserved.