LOCAL SPIN-DENSITY TOTAL ENERGY STUDY OF SURFACE MAGNETISM - V(100)

Results of self-consistent all-electron local (spin) density functional studies of the electronic and magnetic properties of vanadium (100) 1-, 3-, 5- and 7-layers films are reported using our full-potential linearized augmented plane wave (FLAPW) method. The calculated work function, 4. 2 ev ev, agrees very well with the experimental value of 4. 12 ev. From both Stoner factor analyses and spin-polarized total energy calculations, it is concluded that V(100) undergoes a ferromagnetic phase transition only for the monolayer system. It is suggested that the surface magnetism of V(100) may be associated with surface oxygen or caused by impurity induced surface reconstructions.