Proton Collective Quantum Tunneling Induces Anomalous Thermal Conductivity of Ice under Pressure

作     者：Wang, Yufeng Luo, Ripeng Chen, Jian Zhou, Xuefeng Wang, Shanmin Wu, Junqiao Kang, Feiyu Yu, Kuang Sun, Bo 

作者机构：Tsinghua Shenzhen International Graduate School Tsinghua University Shenzhen518055 China Tsinghua-Berkeley Shenzhen Institute Tsinghua University Shenzhen518055 China Department of Physics Academy for Advanced Interdisciplinary Studies Southern University of Science and Technology Shenzhen518055 China Department of Materials Science and Engineering University of California BerkeleyCA94720 United States Materials Sciences Division Lawrence Berkeley National Laboratory BerkeleyCA94720 United States 

出 版 物：《arXiv》 (arXiv)

年 卷 期：2023年

核心收录：

主　　题：Ice 

摘      要：Proton tunneling is believed to be non-local in ice but has never been shown experimentally. Here we measured thermal conductivity of ice under pressure up to 50 GPa and found it to increase with pressure until 20 GPa but decrease at higher pressures. We attribute this anomalous drop of thermal conductivity to the collective tunneling of protons at high pressures, supported by large-scale quantum molecular dynamics simulations. The collective tunneling loops span several picoseconds in time and are as large as nanometers in space, which match the phonon periods and wavelengths, leading to strong phonon scattering at high pressures. Our results show direct evidence of collective quantum motion existing in high-pressure ice and provide a new perspective to understanding the coupling between phonon propagation and atomic tunneling. Copyright © 2023, The Authors. All rights reserved.