1 research outputs found
Zero-Point Quantum Diffusion of Proton in Hydrogen-rich Superconductor
, 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.Comment: 7 pages, 6 figure