Local Structural Variations in Al72Ni20Co8 Decagonal Quasicrystals

2003 ◽  
Vol 805 ◽  
Author(s):  
Yanfa Yan ◽  
S. J. Pennycook
Keyword(s):  
Electron Microscopy ◽  
High Resolution ◽  
Total Energy ◽  
First Principles ◽  
Density Functional ◽  
High Resolution Electron Microscopy ◽  
Structural Variations ◽  
Decagonal Quasicrystals ◽  
Resolution Electron ◽  
Microscopy Images

ABSTRACTWe investigate local structural variations in Al72Ni20Co8 quasicrystals using first principles density-functional total-energy calculations. We find that local chemical fluctuation can cause large structural variations on the central rings of the 2-nm clusters. Such structure variations may result in ambiguities at the central rings in high-resolution electron microscopy images of Al72Ni20Co8 decagonal quasicrystals.

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