Electronic Property and Negative Thermal Expansion Behavior of Si(136-x)Ge(x) (x = 8, 32, 40, 104) Clathrate Solid Solution from First Principles

We present the electronic and vibrational studies on Si(136-x)Ge(x) (x = 8, 32, 40, 104) alloys, using the local density approximation (LDA) scheme. We find that a “nearly-direct” band gap exists in the band structure of Si(104)Ge(32) and Si(96)Ge(40), when compared with the similarly reported resul...

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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/PMC6631460/
https://www.ncbi.nlm.nih.gov/pubmed/31163710
http://dx.doi.org/10.3390/nano9060851

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6631460/
https://www.ncbi.nlm.nih.gov/pubmed/31163710
http://dx.doi.org/10.3390/nano9060851

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