DFT insights into the electronic structure, mechanical behaviour, lattice dynamics and defect processes in the first Sc-based MAX phase Sc(2)SnC

Here we employed the density functional theory calculations to investigate some physical properties of first Sc-based MAX phase Sc(2)SnC including defect processes to compare with those of existing M(2)SnC phases. The calculated structural properties are in good agreement with the experimental value...

Descripción completa

Detalles Bibliográficos
Autores principales: Hadi, M. A., Christopoulos, S.-R. G., Chroneos, A., Naqib, S. H., Islam, A. K. M. A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9388654/
https://www.ncbi.nlm.nih.gov/pubmed/35982080
http://dx.doi.org/10.1038/s41598-022-18336-z

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9388654/
https://www.ncbi.nlm.nih.gov/pubmed/35982080
http://dx.doi.org/10.1038/s41598-022-18336-z

Ejemplares similares