1. Phase transitions and superconductivity in ternary hydride Li2SiH6 at high pressures.
- Author
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Wu, Sixuan, Li, Bin, Chen, Zhi, Hou, Yu, Bai, Yan, Hao, Xiaofeng, Yang, Yeqian, Liu, Shengli, Cheng, Jie, and Shi, Zhixiang
- Subjects
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SUPERCONDUCTIVITY , *PHASE transitions , *SUPERCONDUCTORS , *PHONONS - Abstract
We predicted a new ternary hydride Li 2 SiH 6 at high pressures. A systematic structure search in the Li 2 SiH 6 compound reveals novel stable phases with intriguing electronic and phonon properties. It is found that Li 2 SiH 6 is dynamically stable from ambient pressure up to 400 GPa with three novel phases: P312, P 3 ¯ , and P 6 ¯ 2m. The calculation of electron–phonon coupling combined with Bardeen–Cooper–Schrieffer's argument indicates that this compound may be a candidate for high T c superconductors under high pressures. In particular, the maximum T c of P 6 ¯ 2 m -Li 2 SiH 6 at 400 GPa reaches 56 K. Our findings further promoted the research on the superconductivity of hydrogen-rich compounds. [ABSTRACT FROM AUTHOR]
- Published
- 2022
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