Temperature dependence of phonon modes in protonated (H2O) and deuterated (D2O) ice

DOI

Recentely we have measured (RB 1620263) pressure dependence of phonon modes in both the protonated (H2O) and deuterated ice (D2O) (Fig. 2) at ambient, 0.3 kbar, 1.0 kbar and 1.6 kbar at 225 K. The high pressure measurements have enabled to experimentally determine the energy dependence of the Grüneisen parameter. Further, the combination of temperature and pressure measurements would help to determine the implicit (function of unit cell volume) as well as explicit (function of thermal amplitude of atoms) anharmonicities. The temperature dependent measurements include both the effects, while the pressure dependence includes only the implicit contribution. The pressure and temperature dependence of phonon data along with ab-initio phonon calculations would provide a quantitative framework to understand the anomalous phonon behaviour of these compounds.

Identifier
DOI https://doi.org/10.5286/ISIS.E.87778771
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/87778771
Provenance
Creator Dr Samrath Lal Chaplot; Dr Dominic Fortes; Dr Ranjan Mittal; Dr Devashi Adroja; Dr Mayanak Kumar Gupta
Publisher ISIS Neutron and Muon Source
Publication Year 2021
Rights CC-BY Attribution 4.0 International; https://creativecommons.org/licenses/by/4.0/
OpenAccess true
Contact isisdata(at)stfc.ac.uk
Representation
Resource Type Dataset
Discipline Natural Sciences; Physics
Temporal Coverage Begin 2017-12-18T09:00:00Z
Temporal Coverage End 2018-02-08T11:16:05Z