Quantum simulation of low-temperature metallic liquid hydrogen

Ji Chen, Xin-Zheng Li (), Qianfan Zhang, Matthew I. J. Probert, Chris J. Pickard, Richard J. Needs, Angelos Michaelides and Enge Wang ()
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Ji Chen: ICQM and School of Physics, Peking University
Xin-Zheng Li: School of Physics, Peking University
Qianfan Zhang: School of Materials Science and Engineering, Beihang University
Matthew I. J. Probert: University of York
Chris J. Pickard: University College London
Richard J. Needs: Theory of Condensed Matter Group, Cavendish Laboratory, University of Cambridge
Angelos Michaelides: University College London
Enge Wang: ICQM and School of Physics, Peking University

Nature Communications, 2013, vol. 4, issue 1, 1-5

Abstract: Abstract The melting temperature of solid hydrogen drops with pressure above ~65 GPa, suggesting that a liquid state might exist at low temperatures. It has also been suggested that this low-temperature liquid state might be non-molecular and metallic, although evidence for such behaviour is lacking. Here we report results for hydrogen at high pressures using ab initio methods, which include a description of the quantum motion of the protons. We determine the melting temperature as a function of pressure and find an atomic solid phase from 500 to 800 GPa, which melts at

Date: 2013
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DOI: 10.1038/ncomms3064

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