Phonon Localization by Mass Disorder in Dense Hydrogen-Deuterium Binary Alloy

Abstract

Using a combination of the Raman spectroscopy and density functional theory calculations on dense hydrogen-deuterium mixtures of various concentrations, we demonstrate that, at 300 K and above 200 GPa, they transform into phase IV, forming a disordered binary alloy with six highly localized intramolecular vibrational (vibrons) and four delocalized low-frequency (<1200 cm(-1)) modes. Hydrogen-deuterium mixtures are unique in showing a purely mass-induced localization effect in the quantum solid: chemical bonding is isotope-independent while the mass varies by a factor of 2.