Pressure-induced metallization of dense (H2S)2H2 with high-Tc superconductivity
State Key Laboratory of Superhard Materials · Jilin University · +1 more institution
Abstract
The high pressure structures, metallization, and superconductivity of recently synthesized H2-containing compounds (H2S)2H2 are elucidated by ab initio calculations. The ordered crystal structure with P1 symmetry is determined, supported by the good agreement between theoretical and experimental X-ray diffraction data, equation of states, and Raman spectra. The Cccm structure is favorable with partial hydrogen bond symmetrization above 37 GPa. Upon further compression, H2 molecules disappear and two intriguing metallic structures with R3m and Im-3m symmetries are reconstructive above 111 and 180 GPa, respectively. The predicted metallization pressure is 111 GPa, which is approximately one-third of the…
Citation impact
- FWCI
- 56.92
- Percentile
- 100%
- References
- 49
Authors
10- DDDefang DuanCorresponding
State Key Laboratory of Superhard Materials, Jilin University
- YLYunxian Liu
State Key Laboratory of Superhard Materials, Jilin University
- FTFubo Tian
State Key Laboratory of Superhard Materials, Jilin University
- DLDa Li
Jilin University, State Key Laboratory of Superhard Materials
- XHXiaoli Huang
State Key Laboratory of Superhard Materials, Jilin University
Topics & keywords
- Superconductivity
- Raman spectroscopy
- van der Waals force
- Diffraction
- Ab initio
- Crystal structure
- Crystallography
- Hydride
Funding
- NNNational Natural Science Foundation of ChinaAwards: 11104102, 10979001, J1103202, 11074090, 11204100, 51032001, 51025206
- CPChina Postdoctoral Science FoundationAwards: 2013T60314, J1103202, 2012M511326
- JUJilin University
- NKNational Key Research and Development Program of ChinaAward: 2011CB808200
- SRSpecialized Research Fund for the Doctoral Program of Higher Education of China
- PFProgram for Changjiang Scholars and Innovative Research Team in UniversityAward: IRT1132