Quantum Structural Renormalization and Anharmonic Stabilization of Superconductivity in P4/mmm YScH8
Abstract
The recent synthesis of P4/mmm-YScH8 at 191.7 GPa with a superconducting critical temperature Tc of 113 K has attracted considerable interest in the study of ternary superhydrides. Here we systematically evaluate the effects of quantum and anharmonic motion of ions in P4/mmm-YScH8 using the stochastic self-consistent harmonic approximation (SSCHA). We find that these effects renormalize the crystal structure and lower the dynamical stability threshold pressure from ∼140 GPa to ∼84 GPa, a reduction of about 40%. Furthermore, neglecting these effects causes a significant overestimation of the Tc, for instance by ∼20 K at 190 GPa. Our prediction of Tc at 190 GPa is 113 K (μ*= 0.13), close to the experimental observation. Analysis of the phonon density of states and Eliashberg spectral function further reveals site-dependent contributions to superconductivity. These results establish that a consistent treatment of nuclear quantum motion and anharmonicity is essential for accurately predicting superconductivity in compressed ternary hydrides.
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BibTeX
@misc{dong2026quantum,
title = {{Quantum Structural Renormalization and Anharmonic Stabilization of Superconductivity in P4/mmm YScH8}},
author = {Xiaorui Dong and Mi Pang and Wenjie Ma and Yao Ma and Pugeng Hou},
howpublished = {arXiv},
year = {2026},
month = sep,
doi = {10.48550/arxiv.2609.02295},
eprint = {2609.02295},
archivePrefix = {arXiv},
url = {https://arxiv.org/abs/2609.02295},
note = {CC BY-NC-SA 4.0},
}
RIS
TY - UNPB
TI - Quantum Structural Renormalization and Anharmonic Stabilization of Superconductivity in P4/mmm YScH8
AU - Xiaorui Dong
AU - Mi Pang
AU - Wenjie Ma
AU - Yao Ma
AU - Pugeng Hou
PY - 2026
DA - 2026/09/02
PB - arXiv
DO - 10.48550/arxiv.2609.02295
UR - https://arxiv.org/abs/2609.02295
AB - The recent synthesis of P4/mmm-YScH_8 at 191.7 GPa with a superconducting critical temperature Tc of 113 K has attracted considerable interest in the study of ternary superhydrides. Here we systematically evaluate the effects of quantum and anharmonic motion of ions in P4/mmm-YScH_8 using the stochastic self-consistent harmonic approximation (SSCHA). We find that these effects renormalize the crystal structure and lower the dynamical stability threshold pressure from ∼140 GPa to ∼84 GPa, a reduction of about 40%. Furthermore, neglecting these effects causes a significant overestimation of the T_c, for instance by ∼20 K at 190 GPa. Our prediction of T_c at 190 GPa is 113 K (μ^*= 0.13), close to the experimental observation. Analysis of the phonon density of states and Eliashberg spectral function further reveals site-dependent contributions to superconductivity. These results establish that a consistent treatment of nuclear quantum motion and anharmonicity is essential for accurately predicting superconductivity in compressed ternary hydrides.
ER -