On the magnetism of iron–vanadium systems

The magnetic structure of expanded semi-infinite surface V(0 0 1) (vanadium, V) and bulk V is studied for different values of the intra-atomic exchange parameter JV. An anti ferromagnetic (AF) inter-layer coupling is found for the semi-infinite V(0 0 1) surface. The ferromagnetic (F) and AF phases are investigated for bulk V at expanded volumes. The F phase occurs for values of J>1 eV, whereas the AF phase occurs for values of J>0.5 eV. The intra-atomic exchange parameter JV decreases as a function of the lattice constant. We present also a study of the magnetic behavior of Fe monolayer deposited on a semi-infinite V(0 0 1) substrate and V monolayer on a semi-infinite Fe substrate. The investigations of such structures show a decrease in the magnetic moment of Fe as compared to its bulk value. The calculations of the magnetic moment are carried out by the real-space self-consistent tight-binding recursion method in the Hartree–Fock approximation.