Using particle swarm optimization and first-principles calculations, the crystal structures, electronic properties, and superconducting behavior of the ternary hydride LuThH10 under high pressure are investigated. Our study uncovers two thermodynamically stable phases with space group symmetries of C2/m and Cmmm. Spectral function and electron-phonon coupling calculations show superconducting transition temperatures (Tc) of 65.8 K and 70.7 K under 200 GPa for the C2/m and Cmmm phases of LuThH10, respectively. At 300 GPa, the Tc of the C2/m phase reaches 60.0 K. Further analysis reveals that the H atoms make critical contributions to the superconducting properties of LuThH10, by which the high-frequency vibration of the H atoms enhances Tc.
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Open Access
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Chinese Journal of High Pressure Physics 2025, 39(6)
Published: 06 June 2025
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