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Article
About the chemistry of the terminating 5f-planes in i-AlPdMn : A comparison between models and surface studies
Journal of Physics: Conference Series
  • M. Quiquandon, LEM CNRS-ONERA
  • Baris Unal, Iowa State University and Ames Laboratory
  • Patricia A. Thiel, Iowa State University and Ames Laboratory
  • D. Gratias, LEM CNRS-ONERA
Document Type
Conference Proceeding
Conference
6th International Conference on Aperiodic Crystals (APERIODIC’09)
Publication Version
Published Version
Publication Date
1-1-2010
DOI
10.1088/1742-6596/226/1/012007
Conference Title
6th International Conference on Aperiodic Crystals (APERIODIC’09)
Conference Date
September 13-18, 2009
Geolocation
(53.4083714, -2.9915726000000404)
Abstract
Structural arguments are proposed that support the hypothesis that the equilibrium 5f-surfaces of i-AlPdMn icosahedral alloys are actual cuts of the bulk structure with almost pure Al termination planes [1, 2] corresponding to actual bulk properties with no need for possible Al segregation on the surface. Most of the 5f termination planes in i-AlPdMn are made of two close planes containing essentially Al at the upper one and Al and Pd at the second one (see for instance [3]). Here, perfect unrelaxed structural models that differ only in the chemical distribution of the atomic species are devised, close to the description proposed in [4]. Once compared to experimental X-rays data [5], the calculations show that although the chemical decoration has a rather limited in uence on the global R-factor, there is a clear tendency toward favoring models with almost pure Al on the atomic surface located on the node n, in excellent agreement with the surface studies.
Comments

6th International Conference on Aperiodic Crystals (APERIODIC’09), 226 (2010): 012007, doi: 10.1088/1742-6596/226/1/012007. Posted with permission.

Copyright Owner
IOP Publishing Ltd
Language
en
File Format
application/pdf
Citation Information
M. Quiquandon, Baris Unal, Patricia A. Thiel and D. Gratias. "About the chemistry of the terminating 5f-planes in i-AlPdMn : A comparison between models and surface studies" Liverpool, United KingdomJournal of Physics: Conference Series Vol. 226 (2010) p. 012007-1 - 012007-6
Available at: http://works.bepress.com/patricia_thiel/112/