Atomic and Electronic Structures of Reconstructed Si(100) Surfaces
Abstract
New structural models for 2×1 and 4×2 reconstructed (100) surfaces of Si determined from energy-minimization claculations are presented. The optimal 2×1 and 4×2 structures are found to correspond to asymmetric dimer geometries with partially ionic bonds between surface atoms, resulting in semiconducting surface electronic bands. The atomic and electronic structures for the 2×1 and 4×2 reconstructed surfaces are discussed.
- Publication:
-
Physical Review Letters
- Pub Date:
- July 1979
- DOI:
- 10.1103/PhysRevLett.43.43
- Bibcode:
- 1979PhRvL..43...43C