Campus Units

Chemistry, Ames Laboratory

Document Type

Article

Publication Version

Published Version

Publication Date

2005

Journal or Book Title

Journal of the American Chemical Society

Volume

127

Issue

37

First Page

12786

Last Page

12787

DOI

10.1021/ja0539645

Abstract

Studies of Mg2Cu6Ga5 reveal that this compound contains incomplete Bergman clusters in its structure and shows a pseudogap and empty bonding states just above the Fermi energy according to band calculations. Under a rigid band assumption, such a compound may be tuned to approximant and quasicrystal phases in which the required number of electrons are attained. Here, we replace part of Mg in the isotypic Mg2Cu6Ga5 with Sc, and both 1/1 approximant and icosahedral quasicrystal phases are obtained after some fine-tuning. This method closely correlates the pseudogap and bonding with Hume−Rothery concepts, thus giving useful directions for future quasicrystal searches, especially when approximants are not known.

Comments

This is an article from the Journal of the American Chemical Society 127 (2005): 12786, doi: 10.1021/ja0539645. Posted with permission.

Copyright Owner

American Chemical Society

Language

en

File Format

application/pdf

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