Calculation of chemisorption energies of oxygen on narrow-gap semiconductors |
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| Authors: | S.G. Davison Y.S. Huang |
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| Affiliation: | Bartol Research Foundation of The Franklin Institute, Swarthmore, Pennsylvania 19081, U.S.A.;Applied Mathematics Department, University of Waterloo, Waterloo, Ontario, Canada |
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| Abstract: | Newns' self-consistent model for hydrogen chemisorption on transition metals is extended to calculate the chemisorption energy ΔE of oxygen on Si, Ge and III–V compounds. ΔE is found to depend on the widths of the energy gap and valence band, the crystal work function and the crystal plane, |ΔE(100)|>|ΔE(111)|. In general, larger ΔE's are associated with wider energy gaps. |
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