Cluster-based composition rule for stable ternary quasicrystals in Al-(Cu, Pd, Ni)-TM systems

Abstract Although hundreds of quasicrystals have been found, little is known about their quantitative composition rules that can help design new materials. In this paper we propose a cluster-based approach to decipher the composition rules. Our approach consists of the following steps: (1) selection of a known basic cluster in the constituent binary systems; (2) construction of a cluster line linking the binary cluster composition to a third element; and (3) the intersection of the two cluster lines points to a new quasicrystal composition if the e/a ratio falls in the appropriate range, typically from 1.8 to 2.0. The predicted compositions agree satisfactorily with experimental values. Acknowledgments C. Dong and P. Thiel acknowledge support of the Director, Office of Science, Basic Energy Sciences, Materials Science Division of the U.S. Department of Energy. C. Dong was supported by the Natural Science Foundation of China under grant Nos. 50271012 and 50401020.