Experimental Chemistry and Structural Stability of AlNb<sub>3</sub> Enabled by Antisite Defects Formation
First-principles evolutionary algorithms are employed to shed light on the phase stability of Al–Nb intermetallics. While the tetragonal Al<sub>3</sub>Nb and AlNb<sub>2</sub> structures are correctly identified as stable, the experimentally reported Laves phase of AlNb<sub...
Main Authors: | Nikola Koutná, Petra Erdely, Siegfried Zöhrer, Robert Franz, Yong Du, Shuhong Liu, Paul H. Mayrhofer, David Holec |
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Format: | Article |
Language: | English |
Published: |
MDPI AG
2019-04-01
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Series: | Materials |
Subjects: | |
Online Access: | https://www.mdpi.com/1996-1944/12/7/1104 |
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