Crystal-Structure Analysis with Moments of the Density-of-States: Application to Intermetallic Topologically Close-Packed Phases

Crystal-Structure Analysis with Moments of the Density-of-States: Application to Intermetallic Topologically Close-Packed Phases

The moments of the electronic density-of-states provide a robust and transparent means for the characterization of crystal structures. Using d-valent canonical tight-binding, we compute the moments of the crystal structures of topologically close-packed (TCP) phases as obtained from density-function...

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Bibliographic Details
Main Authors: Thomas Hammerschmidt, Alvin Noe Ladines, Jörg Koßmann, Ralf Drautz
Format: Article
Language:English
Published: MDPI AG 2016-02-01
Series:Crystals
Subjects:
intermetallics
transition metals
topologically close-packed phases
bond-order potentials
Online Access:http://www.mdpi.com/2073-4352/6/2/18

Internet

http://www.mdpi.com/2073-4352/6/2/18

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