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arXiv · 1705.04793

Two-Dimensional Hydrogen Structure at Ultra-High Pressure

Francesco Calcavecchia·Thomas D. Kühne·Markus Holzmann
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Abstract

We introduce a novel method that combines the accuracy of Quantum Monte Carlo simulations with ab-initio Molecular Dynamics, in the spirit of Car-Parrinello. This method is then used for investigating the structure of a two-dimensional layer of hydrogen at $T=0~\text{K}$ and high densities. We find that metallization is to be expected at $r_s \approx 1.1$, with an estimated pressure of $1.0\cdot10^3~a_0~\text{GPa}$, changing from a graphene molecular lattice to an atomic phase.

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Francesco Calcavecchia, Thomas D. Kühne, Markus Holzmann. 2017-05-13. Two-Dimensional Hydrogen Structure at Ultra-High Pressure. https://arxiv.org/abs/1705.04793

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