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<sub>136-x</sub>Ge<sub>x</sub> (0 < <i>x</i> ≤ 128), using periodic density functional theory (DFT). Our computed lattice constant for various st...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2019-05-01
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| Series: | Nanomaterials |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2079-4991/9/5/723 |