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First-Principles Calculations of Quasiparticle Energies at Surfaces and Interfaces: Semiconductor Surface-State Spectra and Band Offsets
Abstract A first-principles theory for calculating surface-state energies and semiconductor band offsets is described. Within a quasiparticle interpretation of excitation spectra, the approach provides well-founded energies which can be compared directly with spectroscopic measurements. Results for the As-capped Si(111) and Ge(111) surfaces and for the GaAs-AlAs(001) heterojunction are discussed and compared with experiment.
First-Principles Calculations of Quasiparticle Energies at Surfaces and Interfaces: Semiconductor Surface-State Spectra and Band Offsets
Abstract A first-principles theory for calculating surface-state energies and semiconductor band offsets is described. Within a quasiparticle interpretation of excitation spectra, the approach provides well-founded energies which can be compared directly with spectroscopic measurements. Results for the As-capped Si(111) and Ge(111) surfaces and for the GaAs-AlAs(001) heterojunction are discussed and compared with experiment.
First-Principles Calculations of Quasiparticle Energies at Surfaces and Interfaces: Semiconductor Surface-State Spectra and Band Offsets
Louie, S. G. (author)
1988-01-01
8 pages
Article/Chapter (Book)
Electronic Resource
English
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