First-Principles Analysis of Vibrational Properties of Type II SiGe Alloy Clathrates

We have mostly performed vibrational studies of Type-II silicon-germanium clathrate alloys, namely, Si(136-x)Ge(x) (0 < x ≤ 128), using periodic density functional theory (DFT). Our computed lattice constant for various stoichiometric amount, namely, x, of Ge agrees to some extent with the observ...

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Detalles Bibliográficos
Autores principales: Xue, Dong, Myles, Charles W.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2019
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6566651/
https://www.ncbi.nlm.nih.gov/pubmed/31083355
http://dx.doi.org/10.3390/nano9050723

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6566651/
https://www.ncbi.nlm.nih.gov/pubmed/31083355
http://dx.doi.org/10.3390/nano9050723

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