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Infrared Peak-Splitting without a Phase Transition in Hydrogen-Deuterium Mixtures at High Pressures | | Ioan B. Magdău
; Graeme J. Ackland
; | | Date: |
6 Sep 2016 | | Abstract: | We report calculations of the infrared spectrum of high pressure
hydrogen/deuterium mixtures in the $C2/c$ and $Cmca-12$ structures. We show
that isotopic disorder gives rise to mode localization of the high frequency
vibrons. We show that the low coordination of the layered structure leads to
the modes splitting into a discrete number of peaks, reflecting the finite
number of possible local environments. This splitting is strongly enhanced with
pressure, such that the discrete peaks become resolvable from the general
disorder and broadening. Peak splitting has traditionally been used as a
signature of a structural phase transition in hydrogen, and the existence of
this alternative mechanism presents a danger of misinterpretation of
spectroscopic data. We show that the data recently interpreted as showing new
phases can be explained by this novel mechanism operating within the well-known
Phase III structure of hydrogen. | | Source: | arXiv, 1609.1518 | | Services: | Forum | Review | PDF | Favorites | |
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