S. Moxon, I. Pallikara, J. Tang, J. Tse and B. Wei Department of Chemistry, University of Manchester ([email protected]) How does lattice thermal conductivity “work”? Insights from first-principles calculations
B 𝑁9 < 𝑃 CCP5 42nd AGM, 6th Sept 2022 | Slide 15 RTA model gives good results for most systems and provides microscopic detail at the level of individual phonon modes Allows differences in 𝜿!"## to be attributed to differences in group velocities and phonon lifetimes Allows differences in lifetimes to be attributed to selection rules and (anharmonic) phonon interaction strengths