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Predicting the Lattice Thermal Conductivity in Nitride Perovskite LaWN(3) from ab initio Lattice Dynamics
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 synthesize...
Autores principales: | Tong, Zhen, Zhang, Yatian, Pecchia, Alessandro, Yam, ChiYung, Zhou, Liujiang, Dumitrică, Traian, Frauenheim, Thomas |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
John Wiley and Sons Inc.
2023
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10037690/ https://www.ncbi.nlm.nih.gov/pubmed/36683244 http://dx.doi.org/10.1002/advs.202205934 |
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