Uniform susceptibilities of metallic elements

Abstract

The exchange-correlation enhanced spin susceptibilities of 32 metallic elements from Li through In have been calculated using the spin-polarized exchange-correlation functional of von Barth and Hedin. Since these 32 elements include both the $3d$ and $4d$ transition series, the calculations clearly exhibit both the normal trends with atomic number and the anomalies responsible for ferromagnetism. The susceptibilities were obtained by evaluating the Vosko-Perdew approximate formal solution of the linear-response problem for each element, using fully self-consistent nonmagnetic ground-state energy bands and wave functions. In addition, the accuracy of the Vosko-Perdew approximation itself was tested for Cr by performing a separate nonperturbative spin-polarized calculation of the response (for the same exchange-correlation functional) to an external magnetic field for this metal (the two susceptibilities agree to within 10%).