Isotope quantum effects in the metallization transition in liquid hydrogen

Sebastiaan Van De Bund, Heather Wiebe, Graeme J Ackland

Research output: Contribution to journalArticlepeer-review

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 H2 and D2 is a quantum mechanical effect which can be associated with the larger zero-point energy in H2 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.
Original languageEnglish
Article number225701
Pages (from-to)1-6
Number of pages6
JournalPhysical Review Letters
Volume126
Issue number22
Early online date2 Jun 2021
DOIs
Publication statusPublished - 4 Jun 2021

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