ISIS Neutron and Muon Source Data Journal

Dynamics of Solid Ionic Conductors: Na2Si2O5 and Li2Si2O5

Abstract: We would measure vibrational spectra for Li2Si2O5 and Na2Si2O5, as well as quasielastic neutron scattering (QENS) spectra for Na2SiO5. The measurement of phonon spectra in the entire Brillouin zone over the temperature range of 300-1300 K is required for characterizing the specific phonon modes relevant to the ionic conductivity and thermal expansion behavior. The measurements would help to identify the phonons which show significant changes as a function of temperature. In addition, we propose to understand the diffusion pathways and timescales by QENS. By combining the vibrational and QENS measurements (300-1300 K) with first-principles phonon calculations and temperature-dependent molecular dynamics simulations, we expect to gain deeper insights of the origin and mechanism of ionic conductivity in amorphous phase and their relationship to phonons in these compounds.

Principal Investigator: Dr Samrath Lal Chaplot
Experimenter: Dr Sanjay Kumar Mishra
Experimenter: Dr Sanghamitra Mukhopadhyay
Experimenter: Dr Mayanak Kumar Gupta
Experimenter: Mr BALTEJ SINGH GILL

DOI: 10.5286/ISIS.E.RB1810365

ISIS Experiment Number: RB1810365

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 Samrath Lal Chaplot et al; (2018): Dynamics of Solid Ionic Conductors: Na2Si2O5 and Li2Si2O5, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1810365

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