Accession Number : ADA133924

Title :   Understanding Localized Behavior in the Auger Spectra of Covalent Systems Such as Graphite.

Descriptive Note : Technical rept.,

Corporate Author : GEORGE WASHINGTON UNIV WASHINGTON D C DEPT OF CHEMISTRY

Personal Author(s) : Ramaker,David E ; Hutson,F L ; Rye,R R ; Houston,J E ; Rogers,J W

PDF Url : ADA133924

Report Date : Sep 1983

Pagination or Media Count : 14

Abstract : 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.

Descriptors :   *Graphite, *Covalent bonds, *Auger electron spectroscopy, Molecular orbitals, Molecular structure, Holes(Electron deficiencies), Valence bands, Energy levels, Theory, Solids

Subject Categories : Atomic and Molecular Physics and Spectroscopy

Distribution Statement : APPROVED FOR PUBLIC RELEASE