Zero-Point Quantum Diffusion of Proton in Hydrogen-rich Superconductor $LaH_{10}$
Abstract
, as a member of hydrogen-rich superconductors, has a superconducting critical temperature of 250 K at high pressures, which exhibits the possibility of solving the long-term goal of room temperature superconductivity. Considering the extreme pressure and low mass of hydrogen, the nuclear quantum effects in should be significant and have an impact on its various physical properties. Here, we adopt the method combines deep-potential (DP) and quantum thermal bath (QTB), which was verified to be able to account for quantum effects in high-accuracy large-scale molecular dynamics simulations. Our method can actually reproduce pressure-temperature phase diagrams of consistent with experimental and theoretical results. After incorporating quantum effects, the quantum fluctuation driven diffusion of proton is found even in the absence of thermal fluctuation near 0 K. The high mobility of proton is found to be compared to liquid, yet the structure of is still rigid. These results would greatly enrich our vision to study quantum behavior of hydrogen-rich superconductors.
Keywords
Cite
@article{arxiv.2306.01371,
title = {Zero-Point Quantum Diffusion of Proton in Hydrogen-rich Superconductor $LaH_{10}$},
author = {Xuejian Qin and Hongyu Wu and Guyong Shi and Chao Zhang and Peiheng Jiang and Zhicheng Zhong},
journal= {arXiv preprint arXiv:2306.01371},
year = {2023}
}
Comments
7 pages, 6 figures