Phonon scattering and kagome modes in the thermal barrier material La2Zr2O7
From next generation gas turbines to scavenging waste heat from car exhausts, finding new materials with ultra-low thermal conductivity has the potential to lead to large gains in device efficiency. Crystal structures with inherently low thermal conductivity are consequently desirable, but candidate materials are rare and often difficult to make. Using first principles calculations and inelastic neutron scattering we have studied the pyrochlore La2Zr2O7 which has been proposed as a next generation thermal barrier. We find that there is a highly anharmonic, approximately flat, vibrational mode associated with the kagome planes. Our results suggest that this mode is responsible for the low thermal conductivity observed in the pyrochlores. We now wish to test this with detailed measurements of phonon scattering rates to compare to beyond the harmonic approximation calculations.
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VONESHEN David; BALAKRISHNAN Geetha; M. Ciomaga Hatnean; LEUNG Winnie; PIOVANO Andrea; SCANLON David and WILLIS Joe. (2019). Phonon scattering and kagome modes in the thermal barrier material La2Zr2O7. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.7-01-480
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