Pressure-Induced Structural Phase Transition and Superconductivity in NaSn5.
Chun-Mei Hao1, Yunguo Li1,2, Hong-Mei Huang1
1School of Physics and Electronic Engineering , Jiangsu Normal University , Xuzhou 221116 , People's Republic of China.
Researchers studied NaSn5 under pressure, discovering a new hexagonal phase with potential superconductivity. This phase exhibits strong electron-phonon coupling, crucial for designing new superconducting materials.
Area of Science:
- Materials Science
- Condensed Matter Physics
- Solid State Chemistry
Background:
- The tin-rich compound NaSn5's properties are not fully understood under high pressure.
- Investigating pressure-induced phase transitions is key to discovering novel material properties.
Purpose of the Study:
- To investigate the structural and electronic properties of NaSn5 under high pressure.
- To explore the potential for superconductivity in pressure-induced phases of NaSn5.
Main Methods:
- Utilized the evolutionary algorithm (EA) technique.
- Performed first-principles total energy calculations.
- Analyzed structural and electronic properties up to 10 GPa.
Main Results:
- Identified a phase transition from tetragonal P4̅21m to hexagonal P6/mmm at 1.85 GPa.
- The P6/mmm phase exhibits a quasi-layered sandwich structure.
- Observed strong electron-phonon coupling (EPC) and potential superconductivity with a critical temperature (Tc) of 5.91 K at 1.85 GPa.
Conclusions:
- The P6/mmm phase of NaSn5 shows promising superconductivity due to strong EPC.
- The findings offer insights into designing intercalated compounds for superconductivity.
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