Original citation: Neophytou, Neophytos. (2015) Prospects of low-dimensional and nanostructured siliconbased thermoelectric materials : findings from theory and simulation. The European Physical Journal B, 88 (4).
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AbstractSilicon based low-dimensional materials receive significant attention as new generation thermoelectric materials after they have demonstrated record low thermal conductivities. Very few works to-date, however, report significant advances with regards to the power factor. In this review we examine possibilities of power factor enhancement in: i) low-dimensional Si channels and ii) nanocrystalline Si materials. For low-D channels we use atomistic simulations and consider ultra-narrow Si nanowires and ultra-thin Si layers of feature sizes below 15nm. Room temperature is exclusively considered. We show that, in general, low-dimensionality does not offer possibilities for power factor improvement, because although the Seebeck coefficient could slightly increase, the conductivity inevitably degrades at a much larger extend. The power factor in these channels, however, can be optimized by proper choice of geometrical parameters such as the transport orientation, confinement orientation, and confinement length scale. Our simulations show that in the case where room temperature thermal conductivities as low as κl=2 W/mK are achieved, the ZT figure of merit of an optimized Si lowdimensional channel could reach values around unity. For the second case of materials, we show that by making effective use of energy filtering, and taking advantage of the inhomogeneity within the nanocrystalline geometry, the underlying potential profile and dopant distribution, large improvements in the thermoelectric power factor can be achieved. The paper is intended...