Isotope quantum effects in the metallization transition in liquid hydrogen

TL;DR

This study reveals significant isotope-dependent quantum effects in high-pressure liquid hydrogen, showing that metallization occurs at lower temperatures in hydrogen than in deuterium due to quantum zero-point energy differences.

Contribution

The paper demonstrates a large isotope effect on hydrogen metallization at high temperatures, highlighting the importance of quantum effects in planetary-relevant conditions.

Findings

Metallization transition occurs hundreds of degrees lower in hydrogen than deuterium.

Quantum zero-point energy weakens H$_2$ covalent bonds, affecting phase transitions.

Experimental deuterium data must be corrected to infer hydrogen behavior at planetary conditions.

Abstract

Quantum effects in condensed matter normally only occur at low temperatures. Here we show a large quantum effect in high-pressure liquid hydrogen at thousands of Kelvins. We show that the metallization transition in hydrogen is subject to a very large isotope effect, occurring hundreds of degrees lower than the equivalent transition in deuterium. We examined this using path integral molecular dynamics simulations which identify a liquid-liquid transition involving atomization, metallization, and changes in viscosity, specific heat and compressibility. The difference between H$_2$ and D$_2$ is a quantum mechanical effect which can be associated with the larger zero-point energy in H$_2$ weakening the covalent bond. Our results mean that experimental results on deuterium must be corrected before they are relevant to understanding hydrogen at planetary conditions.