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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...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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MDPI
2019
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| 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 |