Tc enhancement induced by quantum ionic vibrations in compressed stannane of P63/mmc phase

  • High-pressure hydrides represent promising superconducting materials nowadays, attracting considerable attention. In this work, using stochastic self-consistent harmonic approximation combined with first-principles calculations, we reveal crucial corrections to the vibrational and superconducting properties driven by quantum and anharmonic ionic vibrations of SnH4 in P63/mmc phase at 150-240 GPa. Compared to calculations based on classical harmonic approximation, these effects induce over 500 cm-1 softening of hydrogen-derived optical phonon modes, and elevates the critical temperature (Tc) from 65 K to 79 K (μ* = 0.1; isotropic Migdal-Eliashberg theory), amounting to a 22% enhancement. At μ* = 0.13, the predicted Tc is approximately 70 K . Analysis on Eliashberg spectral function confirms hydrogen vibrational modes as the dominant tuning mechanism. This work provides fundamental data quantifying quantum ionic effects in hydride superconductors.
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