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Studies of angle-resolved photoelectron spectra from oriented NiCO: A model for adsorbed CO

Dubs, Richard L. and Smith, Maile E. and McKoy, V. (1988) Studies of angle-resolved photoelectron spectra from oriented NiCO: A model for adsorbed CO. Physical Review B, 37 (6). pp. 2812-2819. ISSN 0163-1829. http://resolver.caltech.edu/CaltechAUTHORS:DUBprb88

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Abstract

We present a study of angle-resolved photoelectron spectra from oriented, linear NiCO. We address the question: How well do simple cluster models such as oriented NiCO simulate adsorbate molecules with respect to photoemission? The photoemission cross sections are obtained using Hartree-Fock electronic continuum orbitals. For the bonding 5σ̃ orbital, we find oriented NiCO to be a better model than oriented CO. The large magnitude of the 5σ̃ photoionization cross sections relative to the 4σ̃ cross section cannot, however, be explained by our calculations without consideration of backscattering of the photoelectrons ejected "downward" into the detector.


Item Type:Article
Additional Information:©1988 The American Physical Society. Received 10 August 1987. This work was supported by Grant No. CHE-85-21391 from the National Science Foundation. We also acknowledge use of the resources of the San Diego Supercomputer Center. One of us (R.L.D.) acknowledges support by the National Science Foundation.
Record Number:CaltechAUTHORS:DUBprb88
Persistent URL:http://resolver.caltech.edu/CaltechAUTHORS:DUBprb88
Alternative URL:http://dx.doi.org/10.1103/PhysRevB.37.2812
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:4193
Collection:CaltechAUTHORS
Deposited By: Tony Diaz
Deposited On:07 Aug 2006
Last Modified:26 Dec 2012 08:58

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