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Published on: July 8, 2021
Pressure-induced stability and superconductivity in LuH12 polyhydrides.
Junyi Du1, Weiguo Sun2, Xiaofeng Li2
1College of Mathematical Science, Luoyang Normal University, Luoyang, 471934, China.
Researchers explored lutetium hydrides under pressure, discovering stable compounds with high-temperature superconductivity. Cubic LuH$_{12}$ shows the highest critical temperature (Tc) of 187.2 K, offering insights for designing new superconductors.
Area of Science:
- Materials Science
- Condensed Matter Physics
- Computational Chemistry
Background:
- High-pressure hydrides are promising for high-temperature superconductivity.
- Lutetium hydrides have not been extensively studied for their superconducting properties.
Purpose of the Study:
- To systematically investigate the phase stability and superconductivity of lutetium hydrides under high pressure.
- To predict new stable superconducting lutetium hydride compounds.
Main Methods:
- Particle swarm optimization was used to explore phase stability.
- Electronic structure calculations identified superconducting properties.
- Eliashberg theory was applied to calculate the superconducting critical temperature (Tc).
Main Results:
- Several lutetium hydrides (LuH, LuH3, LuH4, LuH6, LuH8, LuH12) were found to be dynamically and thermodynamically stable.
- High density of H-s states and low density of Lu-f states at the Fermi level indicate superconductivity.
- Predicted cubic LuH12 exhibits the highest Tc of 187.2 K at 400 GPa.
Conclusions:
- Lutetium hydrides are potential candidates for high-temperature superconductors.
- The study provides a pathway for designing novel superconducting materials under pressure.
- Computational methods are effective in predicting new superconducting hydrides.
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