Adatom CCV Auger rates via the local density of states

Du, A.J., Trioni, M.I., Brivio, G.P., & Bonini, N. (2003) Adatom CCV Auger rates via the local density of states. Surface Science, 545(1-2), L753-L760.

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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.

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ID Code: 61168
Item Type: Journal Article
Refereed: Yes
Keywords: Green's function methods; electron density; excitation spectra calculations; Jellium models; density functional calculations; Auger ejection; adatoms; alkali metals; metallic surfaces
DOI: 10.1016/j.susc.2003.08.035
ISSN: 0039-6028
Divisions: Current > Schools > School of Chemistry, Physics & Mechanical Engineering
Current > QUT Faculties and Divisions > Science & Engineering Faculty
Deposited On: 09 Jul 2013 05:30
Last Modified: 05 Aug 2013 01:31

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