Electronic structure of the SiÑ111ÖA3ˆA3R30°-B surface

)configuration and carefully analyzing the nature of the wave functions in the vicinity of the Fermi energy, wehave been able to identify the surface states along the various symmetry directions of the surface Brillouin zone~SBZ!. The overall dispersion of both the occupied and unoccupied surface state bands is found to be inexcellent agreement with the angle-resolved photoemission data. The theoretical calculations also predict theoccurrence of two occupied surface state bands at the G and M points of the SBZ. The splitting of these bandsis predicted to be 0.27 eV and 0.35 eV, respectively, in good agreement with experiment.DOI: 10.1103/PhysRevB.66.085329 PACS number~s!: 68.35.Bs, 73.20.2rI. INTRODUCTION