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Anharmonic lattice dynamics and superionic transition in AgCrSe 2

Publication ,  Journal Article
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 in: Proceedings of the National Academy of Sciences
February 25, 2020
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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 , 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.

Duke Scholars

Olivier Delaire
Author Olivier Delaire Thomas Lord Department of Mechanical Engineering and Materia ...
Gaurav Arya
Author Gaurav Arya Thomas Lord Department of Mechanical Engineering and Materia ...
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Published In

Proceedings of the National Academy of Sciences

DOI

10.1073/pnas.1913916117

EISSN

1091-6490

ISSN

0027-8424

Publication Date

February 25, 2020

Volume

117

Issue

8

Start / End Page

3930 / 3937

Publisher

Proceedings of the National Academy of Sciences
 

Citation

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Chicago
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Ding, J., Niedziela, J. L., Bansal, D., Wang, J., He, X., May, A. F., … Delaire, O. (2020). Anharmonic lattice dynamics and superionic transition in AgCrSe 2. Proceedings of the National Academy of Sciences, 117(8), 3930–3937. https://doi.org/10.1073/pnas.1913916117
Ding, Jingxuan, Jennifer L. Niedziela, Dipanshu Bansal, Jiuling Wang, Xing He, Andrew F. May, Georg Ehlers, et al. “Anharmonic lattice dynamics and superionic transition in AgCrSe 2.” Proceedings of the National Academy of Sciences 117, no. 8 (February 25, 2020): 3930–37. https://doi.org/10.1073/pnas.1913916117.
Ding J, Niedziela JL, Bansal D, Wang J, He X, May AF, et al. Anharmonic lattice dynamics and superionic transition in AgCrSe 2. Proceedings of the National Academy of Sciences. 2020 Feb 25;117(8):3930–7.
Ding, Jingxuan, et al. “Anharmonic lattice dynamics and superionic transition in AgCrSe 2.” Proceedings of the National Academy of Sciences, vol. 117, no. 8, Proceedings of the National Academy of Sciences, Feb. 2020, pp. 3930–37. Crossref, doi:10.1073/pnas.1913916117.
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. Anharmonic lattice dynamics and superionic transition in AgCrSe 2. Proceedings of the National Academy of Sciences. Proceedings of the National Academy of Sciences; 2020 Feb 25;117(8):3930–3937.
Journal cover image

Published In

Proceedings of the National Academy of Sciences

DOI

10.1073/pnas.1913916117

EISSN

1091-6490

ISSN

0027-8424

Publication Date

February 25, 2020

Volume

117

Issue

8

Start / End Page

3930 / 3937

Publisher

Proceedings of the National Academy of Sciences