Ni(100) with chalcogen overlayers: Theory for structures, force constants, binding energies, photoemission spectra; importance of final-state multiplet splittings
- 1 March 1978
- journal article
- Published by American Vacuum Society in Journal of Vacuum Science and Technology
- Vol. 15 (2) , 616-618
- https://doi.org/10.1116/1.569640
Abstract
A theory combining Hellmann–Feynman electrostatic forces and one-electron molecular orbital energies is used to determine spectroscopic properties for diatomic and surface nickel chalcogenides. The small cluster model for the surface is found adequate for all properties considered. The absorbate p photoemission bands are interpreted in terms of final-state chalcogen atom multiplet splittings, opposed to previous studies which attributed the complicated spectra to unusual bonding interactions between the absorbate and substrate.Keywords
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