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

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2005-01-01
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Lin, Qisheng
Corbett, John
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Lin, Qisheng
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Ames National Laboratory

Ames National Laboratory is a government-owned, contractor-operated national laboratory of the U.S. Department of Energy (DOE), operated by and located on the campus of Iowa State University in Ames, Iowa.

For more than 70 years, the Ames National Laboratory has successfully partnered with Iowa State University, and is unique among the 17 DOE laboratories in that it is physically located on the campus of a major research university. Many of the scientists and administrators at the Laboratory also hold faculty positions at the University and the Laboratory has access to both undergraduate and graduate student talent.

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Chemistry

The Department of Chemistry seeks to provide students with a foundation in the fundamentals and application of chemical theories and processes of the lab. Thus prepared they me pursue careers as teachers, industry supervisors, or research chemists in a variety of domains (governmental, academic, etc).

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The Department of Chemistry was founded in 1880.

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Ames National 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.

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

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Sat Jan 01 00:00:00 UTC 2005
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