model of nanostructured material

Modeling the thermoelectric characteristics of nanostructured material

Considered the one-dimensional model of a nanostructured thermoelectric material, in which modeled a nanograin by a potential well, and grain boundaries are represented by potential barriers.  The well and barriers are modeled by Gaussian-type potentials.  Developed a software product to calculate the transmission coefficient through the quantum structure "barrier–well–barrier", based on the Thomas algorithm.  Carried out numerical calculations of the specific conductivity and the Seebeck coefficient for the proposed model.