Ferromagnetic properties of Pd monolayers

Abstract

Using a scalar-relativistic norm-conserving pseudopotential and a Gaussian-orbital expansion, we have calculated the magnetic moment and magnetic energy of a free-standing Pd(001) monolayer as a function of lattice constant ${\mathit{a}}_0$. They attain their maximum values when ${\mathit{a}}_0$ is close to the Ag nearest-neighbor distance. Nevertheless, we find that a Pd monolayer on Ag(001) is paramagnetic.