Slater-Koster parametrization for Si and the ideal-vacancy calculation
Journal Article
·
· Phys. Rev., B: Condens. Matter; (United States)
A Slater-Koster Hamiltonian for Si is constructed using four (one s and three p) orthogonal orbitals per site. This Hamiltonian reproduces reasonably accurately the empirical pseudopotential band structure not only for the valence but for the conduction band as well. It also determines correctly the position of the bound level of an unreconstructed vacancy demonstrating thus that the effects of electronic self-consistency are minor.
- Research Organization:
- Naval Research Laboratory, Washington, D.C. 20375
- OSTI ID:
- 5131559
- Journal Information:
- Phys. Rev., B: Condens. Matter; (United States), Journal Name: Phys. Rev., B: Condens. Matter; (United States) Vol. 22:6; ISSN PRBMD
- Country of Publication:
- United States
- Language:
- English
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