Two suggested nonlocal approximations for the spin–spin exchange-correlation interaction functional of the spin-density functional formalism have been applied to the calculation of the Pauli susceptibility, χp, of the alkali metals. The nonlocal approximations were found to imply values of the density-functional Stoner parameter, I, typically ~ 3% lower than values implied by the more usual local approximation. This qualitative trend was found to be supported by comparison of available experimental values of χp with new more accurate theoretical values for the local approximation to χp.
Schottky anomaly and Néel temperature treatment of possible perturbed hydrogenated AA-stacked graphene, SiC, and h-BN bilayers