Swarts, C. A. and Goddard, W. A., III and McGill, T. C. (1981) Core to surface excitations on GaAs(110). Journal of Vacuum Science and Technology, 19 (3). pp. 360-366. ISSN 0022-5355 http://resolver.caltech.edu/CaltechAUTHORS:SWAjvst81b
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We have carried out ab initio calculations of surface core excitations on finite cluster models of the GaAs(110) surface. For the Ga core excitation we find a localized excited state involving excitation into the empty Ga-4p orbital and bound with respect to the conduction band minimum (CBM) by 0.7 eV. This is in reasonable agreement with experiment (binding energy >~0.8 eV). This transition, which is not analogous to bulk core excitations, is termed a core surfaston to emphasize the character of the state. We find that the As core surfaston is above the CBM by 1.0 eV and hence should be difficult to observe.
|Additional Information:||© 1981 American Vacuum Society. (Received 9 March 1981; accepted 18 May 1981) Supported by a contract from the Office of Naval Research (No. N00014-79-C-0797). Arthur Amos Noyes Laboratory of Chemical Physics, Contribution No. 6402.|
|Subject Keywords:||GALLIUM ARSENIDES; SURFACES; ELECTRONIC STRUCTURE; EXCITATION; SOLID CLUSTERS; GALLIUM; ORBITAL CALCULATIONS; CONDUCTION BANDS; EXCITONS|
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|Deposited On:||03 May 2008|
|Last Modified:||26 Dec 2012 10:00|
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