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It is suggested that low dimensionality can improve the thermoelectric (TE)power factor of a device, offering an enhancement of the ZT figure of merit. Inthis work the atomistic sp3d5s*-spin-orbit-coupled tight-binding model and thelinearized Boltzmann transport theory is applied to calculate the roomtemperature electrical conductivity, Seebeck coefficient, and power factor ofnarrow 1D silicon nanowires (NWs). We present a comprehensive analysis of thethermoelectric coefficients of n-type and p-type NWs of diameters from 12nmdown to 3nm, in [100], [110], and [111] transport orientations at differentcarrier concentrations. We find that the length scale at which the influence ofconfinement on the power factor can be observed is at diameters below 7nm. Weshow that contrary to the current view, the effect of confinement and geometryon the power factor originates mostly from changes in the conductivity which isstrongly affected, rather than the Seebeck coefficient. In general, enhancedscattering at these diameter scales strongly degrades the conductivity andpower factor of the device. We identify cases, however, for which confinementlargely improves the channel's conductivity, resulting in ~2-3X power factorimprovements. Our results may provide guidance in the design of efficient lowdimensional thermoelectric devices.

Effects of Confinement and Orientation on the Thermoelectric Power Factor of Silicon Nanowires