ELECTRONIC, MAGNETIC AND OPTICAL-PROPERTIES OF V(001) AND PD(001)

A supercell with thin layers of empty spheres (Es) between two successive metallic slabs is constructed. This supercell is then studied for its electronic structure by Linear Muffin Tin Orbitals (LMTO) method in its Atomic Sphere Approximation (ASA). A sufficient number of Es layers is used to break the inter-slab bonding. Computational results of the magnetic moments of V(001) films for different lattice constants are presented. The single overlayers of Pd and V on Ag(001) surface show paramagnetic behaviour for Pd overlayer while a ferromagnetic stability for V overlayer with a small magnetic moment. Finally, the interband transitions in Pd/Ag(001) and V/Ag(001) are presented.