Predicting the Lattice Thermal Conductivity in Nitride Perovskite LaWN3 from ab initio Lattice Dynamics
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DOI: 10.1002/advs.202205934
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… read more here.
Keywords: lattice thermal; perovskite lawn3; nitride perovskite; thermal conductivity ... See more keywords