A New BCN Compound with Monoclinic Symmetry: First-Principle Calculations

In this study, we predicted and investigated a new light-element compound B-C-N in Pm phase, denoted as Pm-BCN, using density functional theory. Pm-BCN is mechanically, dynamically, and thermodynamically stable. The elastic moduli of Pm-BCN are larger than those of other B-C-N and light-element comp...

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Detalles Bibliográficos
Autores principales: Ma, Zhenyang, Tang, Chunzhi, Shi, Chunlei
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9103693/
https://www.ncbi.nlm.nih.gov/pubmed/35591520
http://dx.doi.org/10.3390/ma15093186

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9103693/
https://www.ncbi.nlm.nih.gov/pubmed/35591520
http://dx.doi.org/10.3390/ma15093186

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