English

Two-Dimensional Hydrogen Structure at Ultra-High Pressure

Computational Physics 2017-05-16 v1

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 KT=0~\text{K} and high densities. We find that metallization is to be expected at rs1.1r_s \approx 1.1, with an estimated pressure of 1.0103 a0 GPa1.0\cdot10^3~a_0~\text{GPa}, changing from a graphene molecular lattice to an atomic phase.

Keywords

Cite

@article{arxiv.1705.04793,
  title  = {Two-Dimensional Hydrogen Structure at Ultra-High Pressure},
  author = {Francesco Calcavecchia and Thomas D. Kühne and Markus Holzmann},
  journal= {arXiv preprint arXiv:1705.04793},
  year   = {2017}
}

Comments

6 pages, 4 figures

R2 v1 2026-06-22T19:46:00.657Z