First-Principles Study of the Electronic, Vibrational Properties and Anharmonic Effects of Some Si-Based Type-II Binary Clathrates
Electronic, vibrational, and anharmonic studies on some binary clathrate A<i><sub>x</sub></i>Si<sub>136</sub> (A = Na, K, Rb, Cs; 0 < <i>x</i> ≤ 24) are theoretically presented. The Fermi energy lies in the range of 1.1 eV to 1.4 eV fo...
| Main Authors: | , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2019-02-01
|
| Series: | Materials |
| Subjects: | |
| Online Access: | https://www.mdpi.com/1996-1944/12/3/536 |