Phonon localization by mass disorder in dense hydrogen-deuterium binary alloy

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 intramol...

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Published inPhysical review letters Vol. 113; no. 17; p. 175501
Main Authors Howie, Ross T, Magdău, Ioan B, Goncharov, Alexander F, Ackland, Graeme J, Gregoryanz, Eugene
Format Journal Article
LanguageEnglish
Published United States 24.10.2014
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Summary: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.
ISSN:1079-7114
DOI:10.1103/physrevlett.113.175501