Dynamics of Solid Ionic Conductors: Na2Si2O5 and Li2Si2O5

DOI

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.

Identifier
DOI https://doi.org/10.5286/ISIS.E.92919756
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/92919756
Provenance
Creator Dr Sanjay Kumar Mishra; Dr Sanghamitra Mukhopadhyay; Dr Samrath Lal Chaplot; Dr Mayanak Kumar Gupta; Mr BALTEJ SINGH GILL
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 Photon- and Neutron Geosciences
Temporal Coverage Begin 2018-05-09T08:30:00Z
Temporal Coverage End 2018-05-14T08:30:00Z