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...

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Detalles Bibliográficos
Autores principales: Chen, Dong, Xia, Cunjuan, Liu, Xiaomin, Wu, Yi, Wang, Mingliang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2019
Materias:
Article
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

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6539934/
https://www.ncbi.nlm.nih.gov/pubmed/31083404
http://dx.doi.org/10.3390/ma12091539

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