  Realistic thermoelectric modeling and simulation tools are needed to explain
the experiments and for device design. In this paper, we present a simple
computational technique to make use of rigorous band structure calculations in
thermoelectric device design. Our, methodology, based on Landauer theory,
provides a way to benchmark effective mass level models against rigorous band
structures. It can also be used for determining the temperature-dependent
Fermi-level from a given doping density and numerically generated
density-of-states, which can then be used with the numerically generated
distribution of channels to evaluate the temperature dependent electrical
conductivity, thermopower, and electronic thermal conductivity. We illustrate
the technique for silicon, for which well-calibrated band structure and
transport data is available, but the technique is more generally suited to
complex thermoelectric materials and provides an easy way to make use of first
principles band structure calculations in device design.
