Surface electronic properties of Si(337)

Using the scattering-theoretic method and employing the nearest-neighbor ti ght-binding formalism to describe the bulk electronic structure, we present the first calculations of electronic properties of the Si(337) surface. Th e surface band structure of Si(337) together with the projected bulk band, the wave-vector-resolved layer densities of states and the atom-resolved la yer densities of states are presented. These results show that there are si x surface bound states in the range from -12.0 to 2.0 eV. The localized sur face features and orbital properties of these surface states along Gamma-Y- S-X-Gamma high symmetry lines of surface Brillouin zone are discussed. (C) 1999 Elsevier Science B.V. All rights reserved.