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Exploration of D0(22)-Type Al(3)TM(TM = Sc, Ti, V, Zr, Nb, Hf, Ta): Elastic Anisotropy, Electronic Structures, Work Function and Experimental Design

The structural properties, elastic anisotropy, electronic structures and work function of D0(22)-type Al(3)TM (TM = Sc, Ti, V, Y, Zr, Nb, La, Hf, Ta) are studied using the first-principles calculations. The results indicate that the obtained formation enthalpy and cohesive energy of these compounds...

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Detalles Bibliográficos
Autores principales:	Zhang, Guowei, Sun, Fenger, Liu, Heping, Ren, Xiaoyan, Xu, Hong, Wang, Mingjie, Fu, Yizheng
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2021
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8123344/ https://www.ncbi.nlm.nih.gov/pubmed/33923038 http://dx.doi.org/10.3390/ma14092206

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