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          Institute: Fritz-Haber-Institut     Collection: Chemical Physics     Display Documents



ID: 262369.0, Fritz-Haber-Institut / Chemical Physics
Initial and final state contributions to binding-energy shifts due to lattice strain: Validation of Auger parameter analyses
Authors:Bagus, Paul S.; Wieckowski, Andrzej; Freund, Hans-Joachim
Language:English
Date of Publication (YYYY-MM-DD):2006-03-10
Title of Journal:Chemical Physics Letters
Journal Abbrev.:Chem. Phys. Lett.
Volume:420
Issue / Number:1-3
Start Page:42
End Page:46
Copyright:© 2005 Elsevier B.V. All rights reserved.
Review Status:Peer-review
Audience:Experts Only
Abstract / Description:The validity of Auger parameter analyses to separate initial and final state contributions to core-level binding energy shifts in the growth of nanoparticles is tested; the specific concern is shifts due to lattice strain. Theoretical energies for the hole-states involved are used to avoid the approximations and assumptions normally required to justify the analyses. When the Auger transitions involve states with high lying d-holes, the Auger parameter analysis of the origin of the shifts is incorrect. When only core–hole Auger states are used, a suitable formulation will accurately reproduce the initial state origin of shifts due to lattice strain.
External Publication Status:published
Document Type:Article
Communicated by:Hans-Joachim Freund
Affiliations:Fritz-Haber-Institut/Chemical Physics/Chemical Physics
External Affiliations:Bagus PS, Dept. of Chemistry, University of North Texas, P.O. Box 30012, Denton, TX 76203-5070, USA; Wieckowski A, Dept. of Chemistry and Frederick Seitz Materials Research Laboratory, University of Illinois at Urbana-Champaign, Urbana, IL 61801, USA
Identifiers:URL:http://www.sciencedirect.com/science?_ob=ArticleUR...
DOI:10.1016/j.cplett.2005.12.033
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