Anharmonic lattice dynamics and superionic transition in AgCrSe 2
Journal Article
Significance Unveiling the unusual atomic dynamics in superionic conductors is critical for the design of energy conversion and storage materials, for example to rationalize their thermal transport properties in thermoelectric applications or their fast ionic conductivity in solid-state electrolytes. We combine neutron/X-ray scattering techniques with first-principles calculations to discover hybrid lattice dynamics in A g C r S e 2 , where the phonon wavelength controls the breakdown of transverse acoustic modes in the superionic phase. We attribute the ultralow thermal conductivity to strong phonon anharmonicity combined with disorder in the Ag sublattice. This understanding provides insights into the thermal conduction mechanism in superionic conductors and sheds light on the role of lattice dynamics in the emergence of superionic behavior.
Full Text
Duke Authors
Cited Authors
- Ding, J; Niedziela, JL; Bansal, D; Wang, J; He, X; May, AF; Ehlers, G; Abernathy, DL; Said, A; Alatas, A; Ren, Y; Arya, G; Delaire, O
Published Date
- February 25, 2020
Published In
Volume / Issue
- 117 / 8
Start / End Page
- 3930 - 3937
Published By
PubMed ID
- 32029595
Pubmed Central ID
- PMC7049114
Electronic International Standard Serial Number (EISSN)
- 1091-6490
International Standard Serial Number (ISSN)
- 0027-8424
Digital Object Identifier (DOI)
- 10.1073/pnas.1913916117
Language
- en