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...
Main Authors: | Thomas Hammerschmidt, Alvin Noe Ladines, Jörg Koßmann, Ralf Drautz |
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Format: | Article |
Language: | English |
Published: |
MDPI AG
2016-02-01
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Series: | Crystals |
Subjects: | |
Online Access: | http://www.mdpi.com/2073-4352/6/2/18 |
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