Predicting the Lattice Thermal Conductivity in Nitride Perovskite LaWN3 from ab initio Lattice Dynamics

Predicting the Lattice Thermal Conductivity in Nitride Perovskite LaWN3 from ab initio Lattice Dynamics

Abstract Using a density functional theory‐based thermal transport model, which includes the effects of temperature (T)‐dependent potential energy surface, lattice thermal expansion, force constant renormalization, and higher‐order quartic phonon scattering processes, it is found that the recently s...

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Bibliographic Details
Main Authors: Zhen Tong, Yatian Zhang, Alessandro Pecchia, ChiYung Yam, Liujiang Zhou, Traian Dumitrică, Thomas Frauenheim
Format: Article
Language:English
Published: Wiley 2023-03-01
Series:Advanced Science
Subjects:
ab initio calculations
lattice thermal conductivity
nitride perovskites
temperature renormalization
glassy systems
Online Access:https://doi.org/10.1002/advs.202205934

Internet

https://doi.org/10.1002/advs.202205934

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