Thermoelectric properties of nanocarbons: Atomistic modeling

Thermoelectric Properties of Scaled Silicon Nanostructures Using the spds*-SO Atomistic Tight-Binding Model

The progress in the synthesis of nanomaterials allows the realization of low-dimensional thermoelectric devices based on 1D nanowires (NWs) and 2D superlattices. These confined systems offer the possibility of partially engineering the electronic and phononic dispersions and scattering mechanisms. Thus, the electrical and thermal conductivity, and the Seebeck coefficient can be designed to some...

Atomistic calculations of the electronic, thermal, and thermoelectric properties of ultra-thin Si layers

Low-dimensional semiconductors are considered promising candidates for thermoelectric applications with enhanced performance because of a drastic reduction in their thermal conductivity, κl , and possibilities of enhanced power factors. This is also the case for traditionally poor thermoelectric materials such as silicon. This work presents atomistic simulations for the electronic, thermal, and...

Full-Band Calculations of Thermoelectric Properties of Si Nanowires and Thin Layers

Low-dimensional semiconductors are considered promising candidates for thermoelectric applications with enhanced performance because of a drastic reduction in their thermal conductivity, κl, and possibilities of enhanced power factors. This is also the case for traditionally poor thermoelectric materials such as silicon. This work presents atomistic simulations for the electronic, thermal, and ...

Thermoelectric Power Factor of Narrow Silicon Nanowires from Atomistic Considerations

Silicon nanowires (NWs) of small diameters have attracted significant attention as efficient thermoelectric materials since the work of Hicks and Dresselhaus [1], who pointed out that low dimensionality can be beneficial to the Seebeck coefficient. The recent results of Boukai et al. [2], and Hochbaum et al. [3] showed that it is indeed possible to achieve ZT~0.5 at room temperature in Si NWs o...

Thermoelectric Properties of Scaled Silicon NanowiresUsing the sp3d 5s*- SO Atomistic Tight-Binding Model and Boltzmann Transport