### Abstract

Original language | Undefined |
---|---|

State | Published - Sep 26 2013 |

### Keywords

- cond-mat.str-el

### Cite this

*The Transition to the Metallic State in Low Density Hydrogen*.

**The Transition to the Metallic State in Low Density Hydrogen.** / McMinis, Jeremy; Morales, Miguel; Ceperley, David M.; Kim, Jeongnim.

Research output: Working paper

}

TY - UNPB

T1 - The Transition to the Metallic State in Low Density Hydrogen

AU - McMinis, Jeremy

AU - Morales, Miguel

AU - Ceperley, David M.

AU - Kim, Jeongnim

N1 - 7 pages, 3 figures

PY - 2013/9/26

Y1 - 2013/9/26

N2 - Solid atomic hydrogen is one of the simplest systems to undergo a metal-insulator transition. Near the transition, the electronic degrees of freedom become strongly correlated and their description provides a difficult challenge for theoretical methods. As a result, the order and density of the phase transition are still subject to debate. In this work we use diffusion quantum Monte Carlo to benchmark the transition between paramagnetic and anti-ferromagnetic body centered cubic atomic hydrogen in its ground state. We locate the density of the transition by computing the equation of state for these two phases and identify the phase transition order by computing the band gap near the phase transition. These benchmark results show that the phase transition is continuous and occurs at a Wigner-Seitz radius of $r_s=2.27(3) a_0$. We compare our results to previously reported density functional theory, Hedin's GW approximation, and dynamical mean field theory results.

AB - Solid atomic hydrogen is one of the simplest systems to undergo a metal-insulator transition. Near the transition, the electronic degrees of freedom become strongly correlated and their description provides a difficult challenge for theoretical methods. As a result, the order and density of the phase transition are still subject to debate. In this work we use diffusion quantum Monte Carlo to benchmark the transition between paramagnetic and anti-ferromagnetic body centered cubic atomic hydrogen in its ground state. We locate the density of the transition by computing the equation of state for these two phases and identify the phase transition order by computing the band gap near the phase transition. These benchmark results show that the phase transition is continuous and occurs at a Wigner-Seitz radius of $r_s=2.27(3) a_0$. We compare our results to previously reported density functional theory, Hedin's GW approximation, and dynamical mean field theory results.

KW - cond-mat.str-el

M3 - Working paper

BT - The Transition to the Metallic State in Low Density Hydrogen

ER -