ISIS Neutron and Muon Source Data Journal

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

Abstract: 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.

Principal Investigator: Dr Ranjan Mittal
Experimenter: Dr Samrath Lal Chaplot
Experimenter: Dr Dominic Fortes
Experimenter: Dr Devashi Adroja
Experimenter: Dr Mayanak Kumar Gupta

DOI: 10.5286/ISIS.E.RB1720262

ISIS Experiment Number: RB1720262

Publisher: STFC ISIS Neutron and Muon Source

Data format: RAW/Nexus
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Data Citation

The recommended format for citing this dataset in a research publication is as:
[author], [date], [title], [publisher], [doi]

For Example:
Dr Ranjan Mittal et al; (2017): Temperature dependence of phonon modes in protonated (H2O) and deuterated (D2O) ice , STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1720262

Data is released under the CC-BY-4.0 license.