Document Type

Conference Proceeding

Conference

6th International Conference on Aperiodic Crystals (APERIODIC’09)

Publication Version

Published Version

Publication Date

2010

Journal or Book Title

Journal of Physics: Conference Series

Volume

226

First Page

012007-1

Last Page

012007-6

DOI

10.1088/1742-6596/226/1/012007

Conference Title

6th International Conference on Aperiodic Crystals (APERIODIC’09)

Conference Date

September 13-18, 2009

City

Liverpool

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 di er 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

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