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.

Full Text
Paper version not known

Talk to us

Join us for a 30 min session where you can share your feedback and ask us any queries you have

Schedule a call

Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.