Magnetism of hexagonal V and Cr monolayers free-standing and adsorbed on Ag(111)

Using the tight-binding linear muffin-tin orbital (TB-LMTO) method, we stud y 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 ini tio electronic structure calculations. For free-standing MLs, we carried ou t calculations as a function of lattice parameter for various magnetic conf igurations. 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 o n a Ag(1 1 1) surface. (C) 2000 Published by Elsevier Science B.V. All righ ts reserved.