Numerical Analysis of the Boundary Scattering Effect on Transport Properties in Bi-Sb Nanowires

In this study, we have numerically analyzed the transport properties of Bi-Sb nanowires, taking into account wire boundary scattering. Wire boundary scattering slightly decreased the Seebeck coefficient of Bi-Sb nanowires. This effect is due to the observation that boundary scattering and the mobility ratio of L-point electrons to T-point holes in the nanowires are smaller than those in bulk Bi-Sb because the wire boundary scattering suppresses the mobilities of L-point electrons and heavy holes. The largest Seebeck coefficient for all wire diameters was obtained when the Sb concentration was 5 at.%. The effective mass approached zero near 5 at.% Sb, and the small effective mass led to a large subband shift in each band. Thus, a small effective mass enhances the quantum effect at a fixed wire diameter, even if wire boundary scattering is taken into account.