Title of article :
Ab initio pseudopotential calculations for the geometry and electronic structure of Si(1 1 4)-c(2 × 2)
Author/Authors :
Smardon، نويسنده , , R.D. and Srivastava، نويسنده , , G.P.، نويسنده ,
Issue Information :
هفته نامه با شماره پیاپی سال 2004
Abstract :
Ab initio pseudopotential calculations are performed to investigate the geometry, electronic structure and orbital characteristics of the high index Si(1 1 4)-c(2 × 2) surface. It is found that there are several states in and around the band gap of bulk silicon and that the surface is characterised by a small band gap of approximately 0.1 eV within the local density approximation.
Keywords :
High index single crystal surfaces , Surface states , morphology , etc.) , Surface potential , surface structure , Roughness , and topography , Surface electronic phenomena (work function , Ab initio quantum chemical methods and calculations , Silicon
Journal title :
Surface Science
Journal title :
Surface Science
