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Title: The curious case of cuprous chloride: Giant thermal resistance and anharmonic quasiparticle spectra driven by dispersion nesting

Strongly anharmonic phonon properties of CuCl are investigated with a combination of first-principles simulations and inelastic neutron scattering measurements. An unusual quasiparticle peak in the spectral functions emerges with increasing temperature, in both simulations and measurements, emanating from exceptionally strong coupling between conventional phonon modes. Associated with this strong anharmonicity, the lattice thermal conductivity (κ) of CuCl is extremely low and exhibits anomalous, non-monotonic pressure dependence. We show how this behavior arises from nested phonon dispersions augmenting the phase space available for anharmonic three-phonon scattering processes, and contrast this mechanism with common arguments based on negative Grüneisen parameters. Here, these results demonstrate the importance of considering the topology of phonon dispersions toward understanding phonon scattering processes and designing new ultralow thermal conductivity materials for technological applications.
Authors:
ORCiD logo [1] ;  [1] ;  [2] ;  [3] ;  [3] ;  [4] ; ORCiD logo [1]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Duke Univ., Durham, NC (United States)
  3. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
  4. Univ. of Missouri, Columbia, MO (United States)
Publication Date:
Grant/Contract Number:
AC05-00OR22725; AC02-05CH11231; SC0014607
Type:
Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 96; Journal Issue: 10; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society (APS)
Research Org:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY
OSTI Identifier:
1476537
Alternate Identifier(s):
OSTI ID: 1378399; OSTI ID: 1408035

Mukhopadhyay, Saikat, Bansal, Dipanshu, Delaire, Olivier A., Perrodin, Didier, Bourret-Courchesne, Edith, Singh, David J., and Lindsay, Lucas R.. The curious case of cuprous chloride: Giant thermal resistance and anharmonic quasiparticle spectra driven by dispersion nesting. United States: N. p., Web. doi:10.1103/PhysRevB.96.100301.
Mukhopadhyay, Saikat, Bansal, Dipanshu, Delaire, Olivier A., Perrodin, Didier, Bourret-Courchesne, Edith, Singh, David J., & Lindsay, Lucas R.. The curious case of cuprous chloride: Giant thermal resistance and anharmonic quasiparticle spectra driven by dispersion nesting. United States. doi:10.1103/PhysRevB.96.100301.
Mukhopadhyay, Saikat, Bansal, Dipanshu, Delaire, Olivier A., Perrodin, Didier, Bourret-Courchesne, Edith, Singh, David J., and Lindsay, Lucas R.. 2017. "The curious case of cuprous chloride: Giant thermal resistance and anharmonic quasiparticle spectra driven by dispersion nesting". United States. doi:10.1103/PhysRevB.96.100301. https://www.osti.gov/servlets/purl/1476537.
@article{osti_1476537,
title = {The curious case of cuprous chloride: Giant thermal resistance and anharmonic quasiparticle spectra driven by dispersion nesting},
author = {Mukhopadhyay, Saikat and Bansal, Dipanshu and Delaire, Olivier A. and Perrodin, Didier and Bourret-Courchesne, Edith and Singh, David J. and Lindsay, Lucas R.},
abstractNote = {Strongly anharmonic phonon properties of CuCl are investigated with a combination of first-principles simulations and inelastic neutron scattering measurements. An unusual quasiparticle peak in the spectral functions emerges with increasing temperature, in both simulations and measurements, emanating from exceptionally strong coupling between conventional phonon modes. Associated with this strong anharmonicity, the lattice thermal conductivity (κ) of CuCl is extremely low and exhibits anomalous, non-monotonic pressure dependence. We show how this behavior arises from nested phonon dispersions augmenting the phase space available for anharmonic three-phonon scattering processes, and contrast this mechanism with common arguments based on negative Grüneisen parameters. Here, these results demonstrate the importance of considering the topology of phonon dispersions toward understanding phonon scattering processes and designing new ultralow thermal conductivity materials for technological applications.},
doi = {10.1103/PhysRevB.96.100301},
journal = {Physical Review B},
number = 10,
volume = 96,
place = {United States},
year = {2017},
month = {9}
}

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