High-pressure hydrides have emerged as promising superconducting materials,attracting considerable attention in recent years.In this work,by combining the stochastic self-consistent harmonic approximation with first-p...High-pressure hydrides have emerged as promising superconducting materials,attracting considerable attention in recent years.In this work,by combining the stochastic self-consistent harmonic approximation with first-principles calculations,we elucidate crucial corrections to the vibrational and superconducting properties arising from quantum and anharmonic ionic vibrations of SnH4 in P63/mmc phase at 150–240 GPa.Compared with the classical harmonic approximation,inclusion of these effects results in a pronounced softening(over 500 cm^(−1))of hydrogen-derived optical phonon modes,and increases the superconducting critical temperature(Tc)from 65 K to 79 K(μ^(*)=0.1;isotropic Migdal–Eliashberg theory),corresponding to a 22%enhancement.For μ^(*)=0.13,the predicted Tc is approximately 70 K.Analysis of the Eliashberg spectral function confirms that hydrogen vibrational modes constitute the dominant tuning mechanism.These results provide quantitative insights into quantum ionic effects in hydride superconductors.展开更多
基金supported by the Scientific Research Program Funded by Shaanxi Provincial Education Department (Grant No.24JP126)the National Natural Science Foundation of China (Grant No.62174136)the Natural Science Basic Research Program of Shaanxi Province (Grant No.2025JC-YBMS-063)。
文摘High-pressure hydrides have emerged as promising superconducting materials,attracting considerable attention in recent years.In this work,by combining the stochastic self-consistent harmonic approximation with first-principles calculations,we elucidate crucial corrections to the vibrational and superconducting properties arising from quantum and anharmonic ionic vibrations of SnH4 in P63/mmc phase at 150–240 GPa.Compared with the classical harmonic approximation,inclusion of these effects results in a pronounced softening(over 500 cm^(−1))of hydrogen-derived optical phonon modes,and increases the superconducting critical temperature(Tc)from 65 K to 79 K(μ^(*)=0.1;isotropic Migdal–Eliashberg theory),corresponding to a 22%enhancement.For μ^(*)=0.13,the predicted Tc is approximately 70 K.Analysis of the Eliashberg spectral function confirms that hydrogen vibrational modes constitute the dominant tuning mechanism.These results provide quantitative insights into quantum ionic effects in hydride superconductors.
