Mechanical, Anisotropic, and Electronic Properties of XN (X = C, Si, Ge): Theoretical Investigations

The structural, mechanical, elastic anisotropic, and electronic properties of Pbca-XN (X = C, Si, Ge) are investigated in this work using the Perdew–Burke–Ernzerhof (PBE) functional, Perdew–Burke–Ernzerhof for solids (PBEsol) functional, and Ceperly and Alder, parameterized by Perdew and Zunger (CA–...

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Detalles Bibliográficos
Autores principales: Ma, Zhenyang, Liu, Xuhong, Yu, Xinhai, Shi, Chunlei, Wang, Dayun
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2017
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5578278/
https://www.ncbi.nlm.nih.gov/pubmed/28786960
http://dx.doi.org/10.3390/ma10080912

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5578278/
https://www.ncbi.nlm.nih.gov/pubmed/28786960
http://dx.doi.org/10.3390/ma10080912

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