Adatom CCV Auger rates via the local density of states

Du, A. J, Trioni, M. I., Brivio, G. P. and Bonini, N. (2003) Adatom CCV Auger rates via the local density of states. Surface Science, 545 1-2: L753-L760. doi:10.1016/j.susc.2003.08.035


Author Du, A. J
Trioni, M. I.
Brivio, G. P.
Bonini, N.
Title Adatom CCV Auger rates via the local density of states
Journal name Surface Science   Check publisher's open access policy
ISSN 0039-6028
Publication date 2003-11-01
Year available 2003
Sub-type Article (original research)
DOI 10.1016/j.susc.2003.08.035
Volume 545
Issue 1-2
Start page L753
End page L760
Total pages 8
Place of publication Amsterdam
Publisher Elsevier Science Bv
Language eng
Abstract In this letter the core-core-valence Auger transitions of an atomic impurity, both in bulk or adsorbed on a jellium-like surface, are computed within a DFT framework. The Auger rates calculated by the Fermi golden rule are compared with those determined by an approximate and simpler expression. This is based on the local density of states (LDOS) with a core hole present, in a region around the impurity nucleus. Different atoms, Na and Mg, solids, Al and Ag, and several impurity locations are considered. We obtain an excellent agreement between KL1V and KL23V rates worked out with the two approaches. The radius of the sphere in which we calculate the LDOS is the relevant parameter of the simpler approach. Its value only depends on the atomic species regardless of the location of the impurity and the type of substrate. (C) 2003 Elsevier B.V. All rights reserved.
Keyword Chemistry, Physical
Physics, Condensed Matter
Green's function methods
electron density
excitation spectra calculations
Jellium models
density functional calculations
Auger ejection
adatoms
alkali metals
metallic surfaces
Simple Metals
Line-shapes
Transitions
Mg
Q-Index Code C1
Q-Index Status Provisional Code
Institutional Status Unknown

Document type: Journal Article
Sub-type: Article (original research)
Collections: Excellence in Research Australia (ERA) - Collection
Australian Institute for Bioengineering and Nanotechnology Publications
 
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