Many-body calculation of surface states: As on Ge(111)
Journal Article
·
· Phys. Rev. Lett.; (United States)
A first-principles theory of the quasiparticle surface-state energies is given. The electron self-energy operaor is evaluated with inclusion of both local fields and dynamical screening effects in a surface calculation using a repeated slab geometry. The results for the prototypical Ge(111):As surface are in excellent agreement with recent angle-resolved photoemission data and show a substantially larger gap between the empty and occupied surface states in comparison to local-density--functional calculations. Implications for local-density--functional calculations of surface-state energies in semiconductors are discussed.
- Research Organization:
- Department of Physics, University of California, Berkeley, California 94720 and Materials and Molecular Research Division, Lawrence Berkeley Laboratory, Berkeley, California 94720
- DOE Contract Number:
- AC03-76SF00098
- OSTI ID:
- 6615086
- Journal Information:
- Phys. Rev. Lett.; (United States), Vol. 58:15
- Country of Publication:
- United States
- Language:
- English
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