Magnetism of hexagonal V and Cr monolayers free-standing and adsorbed on Ag(1 1 1)

Abstract

Using the tight-binding linear muffin-tin orbital (TB–LMTO) method, we study the magnetism of hexagonal V and Cr monolayers (MLs) either free-standing or epitaxially adsorbed on the Ag(111) surface, by spin-polarized ab initio electronic structure calculations. For free-standing MLs, we carried out calculations as a function of lattice parameter for various magnetic configurations. We found that for the lattice parameter of Ag(111) surface (5.45 a.u.), the ferrimagnetic and antiferromagnetic states are clearly more stable than the other solutions. This remains to be true for V and Cr MLs on a Ag(111) surface.