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• W4200469718 abstract "Lattice thermal conductivity ${ensuremath{kappa}}_{mathrm{L}}$ is one of the key parameters involved in the design of microelectronics and energy-conversion devices. In determining the ${ensuremath{kappa}}_{mathrm{L}}$, similar to the well-known cubic anharmonic effect, quartic anharmonicity is ubiquitous and also plays a crucial role in the final heat conduction of some compounds. In this paper, we use a high-throughput first-principles calculation method that combines self-consistent phonon (SCP) theory, compressive sensing techniques, and Boltzmann transport equation (BTE) to investigate the lattice thermal conductivity ${ensuremath{kappa}}_{mathrm{L}}$ with the inclusion of cubic and quartic anharmonicity in 16 cubic oxide and fluoride perovskites. The BTE is solved on top of SCP theory for complete treatment of the quartic anharmonic effect that comprises four-phonon scattering and temperature-driven phonon frequency shift. In particular, only the ${ensuremath{kappa}}_{mathrm{L}}$ within SCP theory is numerically valid for six of the 16 candidate perovskites, since the common calculation of BTE with harmonic phonons fails to estimate the ${ensuremath{kappa}}_{mathrm{L}}$ due to the presence of imaginary frequencies in these materials. Our results exhibit that in addition to three-phonon scattering, the full inclusion of quartic anharmonicity is indispensable to capture a pertinent ${ensuremath{kappa}}_{mathrm{L}}$ and rational temperature dependence of the ${ensuremath{kappa}}_{mathrm{L}}$, while the consideration of only four-phonon scatterings (phonon frequency shifts) gives rise to a lower (higher) ${ensuremath{kappa}}_{mathrm{L}}$ and stronger (weaker) temperature dependence. Meanwhile, we find a roughly linear relation between the ${ensuremath{kappa}}_{mathrm{L}}$ and four-phonon scatterings in the 16 perovskites, which shows that the candidates with lower ${ensuremath{kappa}}_{mathrm{L}}$ have stronger four-phonon scatterings. Moreover, very strong four-phonon scatterings are discovered in some cubic perovskites, especially in fluoride perovskites with imaginary harmonic phonons. The analyses of thermal conductivity spectrum ${ensuremath{kappa}}_{mathrm{L}}(ensuremath{omega})$, scattering process, phase space, etc. reveal that the low-frequency four-phonon scattering rates in the structures with low ${ensuremath{kappa}}_{mathrm{L}}$, e.g., $<1$ W/mK, are comparable to or even exceed those of three-phonon processes." @default.
• W4200469718 created "2021-12-31" @default.
• W4200469718 creator A5003192568 @default.
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• W4200469718 creator A5086485895 @default.
• W4200469718 date "2021-12-15" @default.
• W4200469718 modified "2023-10-16" @default.
• W4200469718 title "Lattice thermal conductivity including phonon frequency shifts and scattering rates induced by quartic anharmonicity in cubic oxide and fluoride perovskites" @default.
• W4200469718 cites W1550186202 @default.
• W4200469718 cites W1575303458 @default.
• W4200469718 cites W1636318489 @default.
• W4200469718 cites W1963636209 @default.
• W4200469718 cites W1965905995 @default.
• W4200469718 cites W1966274572 @default.
• W4200469718 cites W1967531506 @default.
• W4200469718 cites W1967675243 @default.
• W4200469718 cites W1969116968 @default.
• W4200469718 cites W1973914966 @default.
• W4200469718 cites W1974096700 @default.
• W4200469718 cites W1974528379 @default.
• W4200469718 cites W1975713773 @default.
• W4200469718 cites W1979544533 @default.
• W4200469718 cites W1981368803 @default.
• W4200469718 cites W1984389479 @default.
• W4200469718 cites W1986081941 @default.
• W4200469718 cites W1986460281 @default.
• W4200469718 cites W1997319747 @default.
• W4200469718 cites W1999907309 @default.
• W4200469718 cites W2003517983 @default.
• W4200469718 cites W2007395042 @default.
• W4200469718 cites W2015302680 @default.
• W4200469718 cites W2017347525 @default.
• W4200469718 cites W2018073061 @default.
• W4200469718 cites W2018638912 @default.
• W4200469718 cites W2023978863 @default.
• W4200469718 cites W2030976617 @default.
• W4200469718 cites W2031359516 @default.
• W4200469718 cites W2035452016 @default.
• W4200469718 cites W2039472041 @default.
• W4200469718 cites W2041532378 @default.
• W4200469718 cites W2041842211 @default.
• W4200469718 cites W2042056247 @default.
• W4200469718 cites W2045048386 @default.
• W4200469718 cites W2051923595 @default.
• W4200469718 cites W2052856381 @default.
• W4200469718 cites W2057235644 @default.
• W4200469718 cites W2059314255 @default.
• W4200469718 cites W2064778014 @default.
• W4200469718 cites W2071531979 @default.
• W4200469718 cites W2075833840 @default.
• W4200469718 cites W2076218685 @default.
• W4200469718 cites W2078338131 @default.
• W4200469718 cites W2082336084 @default.
• W4200469718 cites W2083155481 @default.
• W4200469718 cites W2083222334 @default.
• W4200469718 cites W2083399556 @default.
• W4200469718 cites W2084453001 @default.
• W4200469718 cites W2111585073 @default.
• W4200469718 cites W2123554644 @default.
• W4200469718 cites W2130850157 @default.
• W4200469718 cites W2152635775 @default.
• W4200469718 cites W2154937271 @default.
• W4200469718 cites W2166973814 @default.
• W4200469718 cites W2192189580 @default.
• W4200469718 cites W2227355244 @default.
• W4200469718 cites W2323639621 @default.
• W4200469718 cites W2329225300 @default.
• W4200469718 cites W2332163353 @default.
• W4200469718 cites W2336459314 @default.
• W4200469718 cites W2385034196 @default.
• W4200469718 cites W2403848903 @default.
• W4200469718 cites W2460620476 @default.
• W4200469718 cites W2580486507 @default.
• W4200469718 cites W2746779411 @default.
• W4200469718 cites W2757598758 @default.
• W4200469718 cites W2763119974 @default.
• W4200469718 cites W2765499981 @default.
• W4200469718 cites W2767516121 @default.
• W4200469718 cites W2782395930 @default.
• W4200469718 cites W2795991997 @default.
• W4200469718 cites W2803529328 @default.
• W4200469718 cites W2804630862 @default.
• W4200469718 cites W2808169296 @default.
• W4200469718 cites W2883336744 @default.
• W4200469718 cites W2890410085 @default.
• W4200469718 cites W2951086436 @default.
• W4200469718 cites W2996612432 @default.
• W4200469718 cites W3013335682 @default.
• W4200469718 cites W3016135110 @default.
• W4200469718 cites W3023732120 @default.
• W4200469718 cites W3032954822 @default.
• W4200469718 cites W3084377376 @default.
• W4200469718 cites W3091080990 @default.
• W4200469718 cites W3097495301 @default.
• W4200469718 cites W3099030566 @default.
• W4200469718 cites W3100399156 @default.

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