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论文类型：期刊论文

发表时间：2011-12-01

发表刊物：ISRAEL JOURNAL OF CHEMISTRY

收录刊物：Scopus、SCIE

卷号：51

期号：11-12,SI

页面范围：1226-1234

ISSN号：0021-2148

关键字：cluster-plus-glue-atom model; cluster-resonance model; electronic structure; intermetallic phases; quasicrystals

摘要：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.