Many-body calculation of surface states: As on Ge(111)
- 13 April 1987
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 58 (15), 1551-1554
- https://doi.org/10.1103/physrevlett.58.1551
Abstract
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.Keywords
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