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We compute both electron- and phonon transmissions in thin disordered siliconnanowires. Our atomistic approach is based on tight-binding and empiricalpotential descriptions of the electronic and phononic systems, respectively.Surface disorder is modeled by including surface silicon vacancies. It is shownthat the average phonon- and electron transmissions through long SiNWscontaining many vacancies can be accurately estimated from the scatteringproperties of the isolated vacancies using a recently proposed averaging method[Phys. Rev. Lett. 99, 076803 (2007)]. We apply this averaging method to surfacedisordered SiNWs in the diameter range 1-3 nm to compute the thermoelectricfigure of merit, ZT. It is found that the phonon transmission is affected moreby the vacancies than the electronic transmission leading to an increasedthermoelectric performance of disordered wires, in qualitative agreement withrecent experiments. The largest ZT>3 is found in strongly disordered <111>oriented wires with a diameter of 2 nm.

Electron- and phonon transport in silicon nanowires: an atomistic approach to thermoelectric properties