Microscopic approach to the pseudo-spin-1/2 Hamiltonian for Kramers doublets in exchange coupled Co(II) pairs

Inorg Chem. 2003 Apr 7;42(7):2455-8. doi: 10.1021/ic0259686.

Abstract

The microscopic theory of the magnetically anisotropic effective pseudo-spin-(1)/(2) Hamiltonian for a pair of Co(2+) ions is reported. In the framework of the second-order perturbation approach, the analytical expressions are found for the components of the tensor of the exchange interaction, g-tensor, and the factor in the temperature independent paramagnetic contribution. The parameters of the Hamiltonian are expressed in terms of the basic intra- and intercenter parameters of the pair, namely, the spin-orbit coupling constant, orbital reduction factor, exchange integral, and low symmetry crystal field parameters including axial and rhombic terms.