Pressure-Induced Metallization of BaH2 and the Effect of Hydrogenation

Hannah A. Shuttleworth, Israel Osmond, Calum Strain, Jack Binns, Jonathan Buhot, Sven Friedemann, Ross T. Howie, Eugene Gregoryanz*, Miriam Peña-Alvarez

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

Abstract / Description of output

Using optical spectroscopy, X-ray diffraction, and electrical transport measurements, we have studied the pressure-induced metallization in BaH2 and Ba8H46. Our combined measurements suggest a structural phase transition from BaH2-II to BaH2-III accompanied by band gap closure and transformation to a metallic state at 57 GPa. The metallization is confirmed by resistance measurements as a function of the pressure and temperature. We also confirm that, with further hydrogenation, BaH2 forms the previously observed Weaire-Phelan Ba8H46, synthesized at 45 GPa and 1200 K. In this compound, metallization pressure is shifted to 85 GPa. Through a comparison of the properties of these two compounds, a question is raised about the importance of the hydrogen content in the electronic properties of hydride systems.

Original languageEnglish
Pages (from-to)11490-11496
Number of pages7
JournalJournal of Physical Chemistry Letters
Issue number50
Early online date12 Dec 2023
Publication statusPublished - 21 Dec 2023

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