Susceptibilities of SmPd2Al3 and SmPd2Ga3 studied with a crystal-field model and an ab initio approach - art. no. 144407

A general formula for the susceptibility of rare-earth compounds was derive d with perturbation theory and mean-field approximation. During the formula tion all relevant interactions, including L-S coupling, Ruderman-Kittel-Kas uya-Yosida exchange, crystal-field splitting, as well as the influence of c onduction-electron polarization and J mixing, were considered. In order to verify the correctness of the formula, ab initio calculations were performe d to obtain the crystal-field parameters (CFP's) of SmPd2Al3 and SmPd2Ga3 w ith a recently developed self-interaction-correction approach. The magnetic susceptibilities of the samarium compounds calculated with the formula and the CFP's exhibit very good similarity to the experimental results in the paramagnetic region.