TY  - JOUR
AU  - DENG, Yuxin
AU  - WANG, Zexi
AU  - LI, Tianyuan
AU  - WANG, Shida
AU  - WANG, Jinhua
PY  - 2025
TI  - Crystal Structure and Superconducting Properties of LuThH10 at High Pressure
JO  - Chinese Journal of High Pressure Physics
SN  - 1000-5773
VL  - 39
IS  - 6
AB  - 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.
UR  - https://doi.org/10.11858/gywlxb.20240906
DO  - 10.11858/gywlxb.20240906