Study of the diamond (100) surface using the self-consistent-field extended tight-binding method
- 15 March 1977
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 15 (6) , 3254-3259
- https://doi.org/10.1103/physrevb.15.3254
Abstract
In this paper, we apply the extended tight-binding method self-consistently to investigate the electronic structure of the ideal (100) surface of diamond. Our calculation identifies surface states in the conduction band and predicts core shifts for surface atoms. The energy distribution across the surface Brillouin zone is analyzed in terms of the orbital densities of states. It is concluded that the extended tight-binding method can be successfully used for investigating surface electronic properties.Keywords
This publication has 48 references indexed in Scilit:
- A comparative study of the (111), (110) and (100) surfaces of silicon using the local density of states method applied to the bond orbital modelJournal of Physics C: Solid State Physics, 1976
- Electronic structure of the (111) surface of semiconductorsPhysical Review B, 1975
- Effects of the 2 × 1 reconstruction on the electronic structure of the (111) surface of Si and GeSolid State Communications, 1975
- A bond orbital model investigation of the surface electronic energy structure of Si(111)Solid State Communications, 1975
- Intrinsic (111) surface states of Ge, GaAs, and ZnSePhysical Review B, 1975
- Intrinsic surface states of (110) surfaces of group IV and III-V semiconductorsPhysical Review B, 1974
- Surface States and Surface Bonds of Si(111)Physical Review Letters, 1973
- Self-Consistent Electronic Structure of Solid SurfacesPhysical Review B, 1972
- Intrinsic Surface States in Semiconductors. I. Diamond-Type CrystalsJournal of the Physics Society Japan, 1969
- Study of the Surface States of Diamond and Graphite by a Simple MO-LCAO MethodPhysical Review B, 1960