抄録
The adsorptions of an ordered monolayer of the hydrogen-like atoms and the halogen-like atoms, respectively on the (100) surface of MgO are investigated using the finite layers crystal formalism. The electronic structure of the surface is described within the LCAO interpolation scheme. The adatoms, which are represented by a single non-degenerate energy level, are placed on the surface in the on-site (1×1) configuration. The effect of the chemisorption coupling strength on the surface states is discussed in detail. Local Densities of States (LDS) of the outer layers of the chemisorbed system are studied for the symmetry points of the Surface Brillouin Zone (SBZ). The energy band structure of the chemisorbed system over the SBZ are presented.
