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A Cluster–Resonance Criterion for Al‐TM Quasicrystal Compositions
Author(s) -
Chen Hua,
Qiang Jianbing,
Wang Qing,
Wang Yingmin,
Dong Chuang
Publication year - 2011
Publication title -
israel journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.908
H-Index - 54
eISSN - 1869-5868
pISSN - 0021-2148
DOI - 10.1002/ijch.201100139
Subject(s) - icosahedral symmetry , quasicrystal , chemistry , cluster (spacecraft) , atom (system on chip) , crystallography , formalism (music) , atomic physics , molecular physics , physics , art , musical , computer science , embedded system , visual arts , programming language
Compositions of binary Al‐TM (TM=Cr to Ni) quasicrystals are interpreted with a unified cluster formula [icosahedron](glue) 1 using the newly developed cluster–resonance 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 ∼1.83–1.85, while decagonal quasicrystals are expressed by an icosahedron plus one TM atom, with e/a ∼1.71–1.78. 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.