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Deformation Modes and Anisotropy of Anti-Perovskite Ti(3)AN (A = Al, In and Tl) from First-Principle Calculations

Deformation modes were studied for Ti(3)AN (A = Al, In and Tl) by applying strain to the materials using first-principle calculations. The states of the bonds changed during the deformation process, and the Ti-N bonds remained structurally stable under deformation. The elastic anisotropy, electronic...

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Detalles Bibliográficos
Autores principales:	Chen, Kuankuan, Li, Cong, Hu, Meng, Hou, Xun, Li, Chunmei, Chen, Zhiqian
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2017
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5506990/ https://www.ncbi.nlm.nih.gov/pubmed/28772720 http://dx.doi.org/10.3390/ma10040362

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