Pressure-Induced Metallization of BaH₂ and the Effect of Hydrogenation

Abstract

Using optical spectroscopy, X-ray diffraction, and electrical transport measurements, we have studied the pressure-induced metallization in BaH 2 and Ba 8 H 46 . Our combined measurements suggest a structural phase transition from BaH 2 -II to BaH 2 -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, BaH 2 forms the previously observed Weaire–Phelan Ba 8 H 46 , 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.