Quantum Simulation of Nanocrystalline Composite Thermoelectric Properties

Abstract

The electrical transport properties of semiconductor nanocrystalline composite (NCC) thermoelectric structures were studied from a quantum point of view using a 2D non equilibrium Green's function (NEGF) computational approach. Previous researchers have shown enhancement in thermal properties of NCC devices but have not extensively studied their electrical transport properties for increased thermoelectric performance. The NCC structure was parameterized to determine the performance as a function of crystal spacing and crystal size. Results indicate that a silicon matrix (well) and a germanium crystal (barrier) configuration result in the highest Seebeck coefficient. Power factors of NCC devices were compared to equivalent superlattice devices, and greater performance was shown for equivalent NCC characteristic lengths.

Keywords:

• nanocrystalline composite
• thermoelectric properties
• Green's function
• quantum simulation