材料期刊网

The superhyperfine parameters T(j) (j = x, y, z) for Cu(2+) in the square-planar K(2)PdX(4) (X = Cl, Br) are theoretically studied from the perturbation formulas of these parameters for an octahedral 3d(9) cluster, by considering both the contributions from the crystal-field and charge-transfer mechanisms. The related molecular orbital coefficients are determined from the cluster approach in a uniform way. Based on one adjustable proportional factor rho for the orbital admixture coefficients, the calculated results of present work show reasonable agreement with the observed values.