Electron Tuning of Mg2Cu6Ga5. A Route to Crystalline Approximant and Quasicrystalline Phases

Supplemental Files
Date
2005-01-01
Authors
Lin, Qisheng
Lin, Qisheng
Corbett, John
Major Professor
Advisor
Committee Member
Journal Title
Journal ISSN
Volume Title
Publisher
Altmetrics
Authors
Research Projects
Organizational Units
Ames Laboratory
Organizational Unit
Chemistry
Organizational Unit
Journal Issue
Series
Department
Ames LaboratoryChemistry
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.

Description
Keywords
Citation
DOI
Collections