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Selective breakdown of phonon quasiparticles across superionic transition in CuCrSe <inf>2</inf>

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Date
2019-01-01
Authors
Niedziela, Jennifer
Bansal, Dipanshu
May, Andrew
Ding, Jingxuan
Lanigan-Atkins, Tyson
Ehlers, Georg
Abernathy, Douglas
Said, Ayman
Delaire, Olivier
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(9 total)
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Abstract
© 2018, The Author(s), under exclusive licence to Springer Nature Limited. Superionic crystals exhibit ionic mobilities comparable to liquids while maintaining a periodic crystalline lattice. The atomic dynamics leading to large ionic mobility have long been debated. A central question is whether phonon quasiparticles—which conduct heat in regular solids—survive in the superionic state, where a large fraction of the system exhibits liquid-like behaviour. Here we present the results of energy- and momentum-resolved scattering studies combined with first-principles calculations and show that in the superionic phase of CuCrSe 2 , long-wavelength acoustic phonons capable of heat conduction remain largely intact, whereas specific phonon quasiparticles dominated by the Cu ions break down as a result of anharmonicity and disorder. The weak bonding and large anharmonicity of the Cu sublattice are present already in the normal ordered state, resulting in low thermal conductivity even below the superionic transition. These results demonstrate that anharmonic phonon dynamics are at the origin of low thermal conductivity and superionicity in this class of materials.
Type
Journal article
Subject
Science & Technology
Physical Sciences
Physics, Multidisciplinary
Physics
ULTRALOW THERMAL-CONDUCTIVITY
TOTAL-ENERGY CALCULATIONS
NEUTRON-SCATTERING
THERMOELECTRIC PERFORMANCE
TRANSPORT
LIQUID
DIFFUSION
CONDUCTORS
DYNAMICS
ORIGIN
Permalink
https://hdl.handle.net/10161/20065
Published Version (Please cite this version)
10.1038/s41567-018-0298-2
Publication Info
Niedziela, Jennifer; Bansal, Dipanshu; May, Andrew; Ding, Jingxuan; Lanigan-Atkins, Tyson; Ehlers, Georg; ... Delaire, Olivier (2019). Selective breakdown of phonon quasiparticles across superionic transition in CuCrSe <inf>2</inf>. Nature Physics, 15(1). pp. 73-78. 10.1038/s41567-018-0298-2. Retrieved from https://hdl.handle.net/10161/20065.
This is constructed from limited available data and may be imprecise. To cite this article, please review & use the official citation provided by the journal.
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Scholars@Duke

Delaire

Olivier Delaire

Associate Professor of Mechanical Engineering and Materials Science
The Delaire group investigates atomistic transport processes of energy and charge, and thermodynamics in energy materials. We use a combined experimental and computational approach to understand and control microscopic energy transport for the design of next-generation materials, in particular for sustainable energy applications. Current materials of interest include superionic conductors, photovoltaics, thermoelectrics, ferroelectrics/multiferroics, and metal-insulator transitions. Our group
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