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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Detalles Bibliográficos

Principais autores:	Zhen Tong, Yatian Zhang, Alessandro Pecchia, ChiYung Yam, Liujiang Zhou, Traian Dumitrică, Thomas Frauenheim
Formato:	Artigo
Idioma:	Inglês
Publicado:	Wiley 2023-03-01
Series:	Advanced Science
Assuntos:	ab initio calculations lattice thermal conductivity nitride perovskites temperature renormalization glassy systems
Acceso en liña:	https://doi.org/10.1002/advs.202205934
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