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The Effect of Alloying Elements on the Structural Stability, and Mechanical and Electronic Properties of Al(3)Sc: A First-Principles Study
The first-principles methods, based on the density function theory, are performed to calculate the properties of pure and doped Al(3)Sc. The structural stability, and mechanical and electronic properties of L1(2)-Al(3)Sc(1−x)M(x) (M = Zr, Ti, Y, and Li) have been investigated. A negative formation e...
| 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/PMC6539934/ https://www.ncbi.nlm.nih.gov/pubmed/31083404 http://dx.doi.org/10.3390/ma12091539 |