Simple thermodynamic model for the hydrogen phase diagram

Ioan B. Magdau, Miriam Marques, Balint Borgulya, Graeme J. Ackland

Research output: Contribution to journalArticlepeer-review

Abstract

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.

Original languageEnglish
Article number094107
Number of pages7
JournalPhysical Review B
Volume95
Issue number9
DOIs
Publication statusPublished - 13 Mar 2017

Keywords

  • SOLID MOLECULAR-HYDROGEN
  • METALLIC HYDROGEN
  • DENSE HYDROGEN
  • HIGH-PRESSURE
  • EXTREME PRESSURES
  • TRANSITION
  • QUANTUM
  • GPA
  • DEUTERIUM

Cite this