Geometry and core-level shifts of As on GaAs(110)
Journal Article
·
· Physical Review, B: Condensed Matter
- Solid State Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831-6032 (United States)
- Department of Physics, Pohang University of Science and Technology, Pohang 790-784 (Korea)
The atomic structure of the As-covered GaAs(110) surface in one-monolayer coverage is studied using the pseudopotential density-functional theory. We compare the adsorption geometry of As/GaAs(110) with that of the well-studied isoelectronic Sb/GaAs(110) system and discuss the large difference in the desorption temperature found in both systems, based on the calculated adsorption energies. In addition, we calculate the As 3d and Ga 3d core-level shifts at As/GaAs(110) using initial-state theory. Our calculations not only produce well the surface components resolved in a recent photoemission experiment, but predict an additional surface core level for the substrate As atom bonded to the adsorbed As atom. {copyright} {ital 1999} {ital The American Physical Society}
- OSTI ID:
- 338703
- Journal Information:
- Physical Review, B: Condensed Matter, Journal Name: Physical Review, B: Condensed Matter Journal Issue: 19 Vol. 59; ISSN 0163-1829; ISSN PRBMDO
- Country of Publication:
- United States
- Language:
- English
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