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

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(1 1 1) 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(1 1 1) 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(1 1 1) surface.