Energy-band theory of Auger line shapes: Silicon L/sub 2,3/VV and lithium KVV

Journal Article · Fri Dec 15 04:00:00 EST 1978 · Phys. Rev., B; (United States)

DOI:https://doi.org/10.1103/PhysRevB.18.6865· OSTI ID:6465521

Jennison, D R

It is shown that one-electron band theory predicts the experimentally observed L/sub 2,3/VV Auger line shape of silicon and the KVV line shape of lithium, provided that the partial densities of states are properly normalized for the atomic orbital (AO) basis used to calculate the matrix elements. This normalization, when combined with matrix-element effects, is responsible for the dominance of p-p hole final states in the experimental spectra. The effect is equivalent to noting that with the atomic-orbital basis, the electronic charge is divided into atomic and overlap populations. Due to matrix-element effects, the latter does not contribute to the Auger process. Thus, Auger-electron spectroscopy is sensitive to the variation of the local atomic charge density across the valence band. Since the s AO contributes more to the overlap (bonding) charge than the p AO does, the s-like contribution is suppressed in the Auger line shape. The quality of the agreement with experiment suggests that the combined effects of the surface, many-body phenomena, and the distortion of the valence band in response to the core hole are small for the above spectra.

• Research Organization: Sandia Laboratories, Albuquerque, New Mexico 87185
• OSTI ID: 6465521
• Journal Information: Phys. Rev., B; (United States), Journal Name: Phys. Rev., B; (United States) Vol. 18:12; ISSN PLRBA
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360104* -- Metals & Alloys-- Physical Properties
360603 -- Materials-- Properties
640302 -- Atomic
Molecular & Chemical Physics-- Atomic & Molecular Properties & Theory
656000 -- Condensed Matter Physics
74 ATOMIC AND MOLECULAR PHYSICS
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ALKALI METALS
AUGER EFFECT
AUGER ELECTRON SPECTROSCOPY
BAND THEORY
ELECTRON SPECTROSCOPY
ELECTRONIC STRUCTURE
ELEMENTS
LITHIUM
MATRIX ELEMENTS
METALS
SEMIMETALS
SILICON
SPECTROSCOPY