Tuning the electronic and vibrational properties of Sn2P2S6: Pressure induced metallization and superconductivity
The influence of external pressure on the properties of Sn2P2S6 has been systematically studied using density-functional theory calculations. It has been found that the ambient-pressure polymorph (space group P21/c) is most stable up to 100 GPa than the other two polymorphs reported in the literatur...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2024-02-01
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| Series: | Results in Physics |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2211379724000123 |