Theoretical estimate of the exchange-correlation enhancement of the spin susceptibility of scandium

A variational principle-spin density functional theory has been used to calculate the zero-temperature spin susceptibility of scandium. The exchange-correlation functionals which appear are treated in the local-spin-density approximation. The single-particle electron states are calculated by the augmented-plane-wave method using a self-consistent muffin-tin potential. It is argued that the reasonable agreement between the anomalous measured magnetic form factors and those calculated in a single-particle picture shows the appropriateness of the trial magnetization density used in the variational principle. The theoretical spin susceptibility was found to be 281 × ${10}^{-6\mathrm{}}$ emu/mole corresponding to an exchange-correlation enhancement factor of 4.03 over the single-particle (band) value. This result is in good agreement with the measured total susceptibility and recent theoretical estimates of its other components.