Understanding Localized Behavior in the Auger Spectra of Covalent Systems Such as Graphite.
GEORGE WASHINGTON UNIV WASHINGTON D C DEPT OF CHEMISTRY
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Localized behavior in the CVV Auger lineshapes of atomic and metallic systems are easily understood within the Cini-Sawatsky theory, which assumes the final state holes are either localized in a single atomic orbital or not at all. In covalently bonded systems, intermediate levels of localization may occur such as onto bond or group orbitals. A set criteria to determine the level of localization has been published, however, a general procedure for determining the distortion effects due to intermediate localization has not been reported. This work describes and justifies the use of the Cini expression on various sub-bands of the self fold of the DOS. Application is made to the Auger lineshape of graphite. Although complete delocalization has been indicated for graphite, a reinvestigation of the experimental lineshape, and comparison with a more complete theoretical lineshape, indicates partial localization of the holes in the group orbitals and none in the pi orbitals. This interpretation is consistent with results for ethylene and benzene.
- Atomic and Molecular Physics and Spectroscopy