Isotope Quantum Effects in the Metallization Transition in Liquid Hydrogen
Sebastiaan van de Bund, Heather Wiebe, Graeme J. Ackland
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 that 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.