First-principles calculations of quasiparticle energies at surfaces and interfaces: Semiconductor surface-state spectra and band offsets

Conference · Tue Dec 01 00:00:00 EST 1987

OSTI ID:5369252

Louie, S G

The 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 sepctroscopy 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. 14 refs., 3 figs.

• Research Organization: Lawrence Berkeley Lab., CA (USA)
• DOE Contract Number: AC03-76SF00098
• OSTI ID: 5369252
• Report Number(s): LBL-24467; CONF-871266-1; ON: DE88006340
• Resource Relation: Conference: Solvay conference on surface science, Austin, TX, USA, 14 Dec 1987; Other Information: Portions of this document are illegible in microfiche products
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
ALUMINIUM ARSENIDES
INTERFACES
QUASI PARTICLES
SURFACE PROPERTIES
GALLIUM ARSENIDES
GERMANIUM
ENERGY LEVELS
SILICON
ARSENIC
ATOMS
CHEMISORPTION
CRYSTAL LATTICES
ELECTRONIC STRUCTURE
ENERGY
EQUATIONS
EXCITATION
HETEROJUNCTIONS
SPECTRA
ALUMINIUM COMPOUNDS
ARSENIC COMPOUNDS
ARSENIDES
CHEMICAL REACTIONS
CRYSTAL STRUCTURE
ELEMENTS
ENERGY-LEVEL TRANSITIONS
GALLIUM COMPOUNDS
JUNCTIONS
METALS
PNICTIDES
SEMICONDUCTOR JUNCTIONS
SEMIMETALS
SEPARATION PROCESSES
SORPTION
360602* - Other Materials- Structure & Phase Studies