Development of an Ab-initio Model of the Lattice Thermal Conductivity in Semiconductor Thin Films and Nanowires

A model for calculating the lattice thermal conductivity in semiconductor thin films and nanowires is developed. It is based on the solution of phonon Boltzmann equation and takes into account phonon dispersion modification due to confinement effects and non-equilibrium phonon redistribution. Phonon spatial confinement at the structure boundaries leads to modification of the acoustic phonon dispersion and corresponding drop in the mode-averaged group velocity. Scattering from rough boundaries and interfaces introduces a change in the non-equilibrium phonon distribution as compared to bulk. These effects lead to a reduction in the in-plane lattice thermal conductivity in both thin films and nanowires. The predicted values for the lattice thermal conductivity and their temperature and interface roughness dependence are in good agreement with available experimental data.