Superconductivity in CeBeH8and CeBH8at moderate pressures
1College of Electronic and Optical Engineering, Nanjing University of Posts and Telecommunications, Nanjing 210023, People's Republic of China.
Summary
Superhydrides CeBeH8 and CeBH8 exhibit high-temperature superconductivity under high pressure. CeBH8 shows potential for even higher critical temperatures, enriching the search for novel superconducting materials.
Area of Science:
- Condensed Matter Physics
- Materials Science
- Superconductivity
Background:
- Superhydrides are promising candidates for high-temperature superconductivity.
- Understanding the structural and superconducting properties of ternary hydrides is crucial for discovering new materials.
Purpose of the Study:
- To investigate the high-pressure structural and superconducting properties of CeBeH8 and CeBH8.
- To identify stable phases and predict their superconducting transition temperatures (Tc).
Main Methods:
- High-pressure structural searches were performed up to 300 GPa.
- Density Functional Theory (DFT) calculations were used to predict crystal structures and superconducting properties.
Main Results:
- Fm3m-CeBeH8 was identified with a Tc of 56 K at 10 GPa.
- CeBH8 exhibits higher transition pressures and Tc values, with Fm3m-CeBH8 predicted to superconduct above 120 GPa with a maximum Tc of 118 K.
- R3m-CeBH8 and C2/m-CeBH8 are dynamically stable above 120 GPa and 100 GPa, respectively, with maximum Tc values of 123 K and 115 K.
Conclusions:
- The study identifies new superconducting phases in CeBeH8 and CeBH8 systems.
- These findings enrich the family of ternary hydrides and provide guidelines for future searches for superconducting hydrides at moderate pressures.
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