Isotope Quantum Effects in the Metallization Transition in Liquid Hydrogen

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 lo...

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Veröffentlicht in:Physical review letters 2021-06, Vol.126 (22), p.1-225701, Article 225701
Hauptverfasser: van de Bund, Sebastiaan, Wiebe, Heather, Ackland, Graeme J.
Format: Artikel
Sprache:eng
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Zusammenfassung: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 that 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.
ISSN:0031-9007
1079-7114
DOI:10.1103/PhysRevLett.126.225701