Selective breakdown of phonon quasiparticles across superionic transition in CuCrSe2

Niedziela, Jennifer L.; Bansal, Dipanshu; May, Andrew F.; Ding, Jingxuan; Lanigan-Atkins, Tyson; Ehlers, Georg; Abernathy, Douglas L.; Said, Ayman; Delaire, Olivier

doi:10.1038/s41567-018-0298-2

Title: Selective breakdown of phonon quasiparticles across superionic transition in CuCrSe₂

Journal Article · 07 October 2018 · Nature Physics

DOI: https://doi.org/10.1038/s41567-018-0298-2 · OSTI ID:1491346

^[1]; Bansal, Dipanshu ^[2];

^[3]; Ding, Jingxuan ^[2]; Lanigan-Atkins, Tyson ^[2];

^[3];

^[3]; Said, Ayman ^[4];

^[2]

Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Duke Univ., Durham, NC (United States)
Duke Univ., Durham, NC (United States)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Argonne National Lab. (ANL), Lemont, IL (United States)

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 CuCrSe₂, 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. Furthermore, these results demonstrate that anharmonic phonon dynamics are at the origin of low thermal conductivity and superionicity in this class of materials.

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Research Organization:: Argonne National Lab. (ANL), Argonne, IL (United States); Energy Frontier Research Centers (EFRC) (United States). Solid-State Solar-Thermal Energy Conversion Center (S3TEC); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF)

Sponsoring Organization:: DOE Office of Science; USDOE; USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division

Grant/Contract Number:: AC02-06CH11357; AC05-00OR22725

OSTI ID:: 1491346

Journal Information:: Nature Physics, Journal Name: Nature Physics Journal Issue: 1 Vol. 15; ISSN 1745-2473

Publisher:: Nature Publishing Group (NPG)Copyright Statement

Country of Publication:: United States

Language:: English

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