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Role of high-order anharmonicity and off-diagonal terms in thermal conductivity: A case study of multiphase <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>CsPbBr</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:math>
We investigate the influence of three- and four-phonon scattering, perturbative anharmonic phonon renormalization, and off-diagonal terms of coherent phonons on the thermal conductivity of CsPbBr3 phase change perovskite, by using advanced implementations and first-principles simulations. Our study spans a wide temperature range covering the entire structural spectrum. Notably, we demonstrate …