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Experimental Chemistry and Structural Stability of AlNb(3) 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(3)Nb and AlNb(2) structures are correctly identified as stable, the experimentally reported Laves phase of AlNb(3) yields soft phonon modes implying its dynamic...
Autores principales: | , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2019
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6479385/ https://www.ncbi.nlm.nih.gov/pubmed/30987089 http://dx.doi.org/10.3390/ma12071104 |