Simple thermodynamic model for the hydrogen phase diagram

We describe a classical thermodynamic model that reproduces the main features of the solid hydrogen phase diagram. In particular, we show how the general structure types, which are found by electronic structure calculations and the quantum nature of the protons, can also be understood from a classic...

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Bibliographic Details
Published in:Physical review. B 2017-03, Vol.95 (9), p.94107, Article 094107
Main Authors: Magdău, Ioan B., Marqués, Miriam, Borgulya, Balint, Ackland, Graeme J.
Format: Article
Language:English
Subjects:
Condensed matter physics
Crystal structure
Electronic structure
Phase diagrams
Quantum mechanics
Quantum theory
Thermodynamic models
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Summary:We describe a classical thermodynamic model that reproduces the main features of the solid hydrogen phase diagram. In particular, we show how the general structure types, which are found by electronic structure calculations and the quantum nature of the protons, can also be understood from a classical viewpoint. The model provides a picture not only of crystal structure, but also for the anomalous melting curve and insights into isotope effects, liquid metallisation, and infrared activity. The existence of a classical picture for this most quantum of condensed matter systems provides a surprising extension of the correspondence principle of quantum mechanics, in particular the equivalent effects of classical and quantum uncertainty.
ISSN:2469-9950
2469-9969
DOI:10.1103/PhysRevB.95.094107