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Assessing Effects of van der Waals Corrections on Elasticity of Mg(3)Bi(2−x)Sb(x) in DFT Calculations

As a promising room-temperature thermoelectric material, the elastic properties of Mg(3)Bi(2−x)Sb(x) (0 ≤ x ≤ 2), in which the role of van der Waals interactions is still elusive, were herein investigated. We assessed the effects of two typical van der Waals corrections on the elasticity of Mg(3)Bi(...

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Detalles Bibliográficos
Autores principales:	Peng, Qing, Ma, Xinjie, Yang, Xiaoyu, Zhao, Shuai, Yuan, Xiaoze, Chen, Xiaojia
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2023
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10573825/ https://www.ncbi.nlm.nih.gov/pubmed/37834619 http://dx.doi.org/10.3390/ma16196482

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