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Indexed by:期刊论文

Date of Publication:2011-12-01

Journal:ISRAEL JOURNAL OF CHEMISTRY

Included Journals:Scopus、SCIE

Volume:51

Issue:11-12,SI

Page Number:1226-1234

ISSN No.:0021-2148

Key Words:cluster-plus-glue-atom model; cluster-resonance model; electronic structure; intermetallic phases; quasicrystals

Abstract:Compositions of binary Al-TM (TM=Cr to Ni) quasicrystals are interpreted with a unified cluster formula [icosahedron](glue)1 using the newly developed clusterresonance model and the e/a formalism. The icosahedra are chosen from the corresponding approximants by considering large radial atomic density, high degree of isolation, and narrow distribution of the shell atoms. Icosahedral quasicrystals are expressed by an icosahedron plus one averaged icosahedron atom as the glue atom [icosahedron](icosahedron/13)1, characterized by e/a similar to 1.831.85, while decagonal quasicrystals are expressed by an icosahedron plus one TM atom, with e/a similar to 1.711.78. The total electrons accommodated in unit cluster formulas of different Al-TM quasicrystals have the same value approaching 24, which implies that the cluster formulas are both chemical and electronic structural units.