Anharmonic decay of phonons in semiconductors from first-principles calculations

Alberto Debernardi; Stefano Baroni; Elisa Molinari

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Anharmonic decay of phonons in semiconductors from first-principles calculations

Alberto Debernardi·Stefano Baroni·Elisa Molinari

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Abstract

The anharmonic contribution to phonon lifetime and its temperature dependence is calculated from first principle in C, Si and Ge using third-order density-functional perturbation theory. Good agreement with available experimental data is obtained. Different competing two-phonon decay channels are compared and correlated with the density of final states.

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Alberto Debernardi, Stefano Baroni, Elisa Molinari. 1994-08-18. Anharmonic decay of phonons in semiconductors from first-principles calculations. https://arxiv.org/abs/cond-mat/9408051

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