(a) Temperature dependence of thermal conductivity for SW silicon predicted from LD calculations (symbols) and mode-dependent Holland fit (lines). (b)% thermal conductivity contribution of TA and LA modes.
LD mode-dependent inverse relaxation times at 300 K, Holland and alternate predictions, and density of states for (a) TA and (b) LA.
Normalized cumulative thermal conductivity as a function of frequency for (a) TA and (b) LA. Dashed-dotted lines: low temperatures (100 K and below). Black lines: high temperatures (200 K, 300 K, 500 K, and 1000 K). Red line: cubic fit to data at 300 K.
(a) RMSE of Holland and alternate predictions of cumulative thermal conductivity. (b) RMSE of Holland and alternate inverse relaxation time predictions.
Transverse and longitudinal inverse relaxation time forms corresponding to the Holland model, for both normal (N) and Umklapp (U) processes.
Fitted values of Holland model's parameters when: (i) only total thermal conductivity is considered and (ii) both total and mode-dependent thermal conductivities are considered. Note that impurity scattering was neglected in our calculations for consistency with our lattice dynamics simulations.
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