A scattering rate model for accelerated evaluation of lattice thermal conductivity bypassing anharmonic force constants

Han Xie
Han Xie
Jiahao Yan
Jiahao Yan

Journal of Applied Physics, pp. 2051042019.

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Abstract:

Prediction of lattice thermal conductivity is important to many applications and technologies, especially for high-throughput materials screening. However, the state-of-the-art method based on three-phonon scattering process is bound with high computational cost while semi-empirical models such as the Slack equation are less accurate. I...More

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