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 and high densities. We find that metallization is to be expected at , with an estimated pressure of , changing from a graphene molecular lattice to an atomic phase.
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