Monte Carlo Simulation of Seebeck Coefficient and Electrical Conductivity in Thermoelectrics

摘要

We proposed a scheme for simulating the electronic and thermoelectric properties of polycrystalline ceramics. The simulation results show that the ground state electrons are easily confined in the largest grain, In addition, with the increasing average grain size, the Seebeck coefficient decreases while the electrical conductivity increases monotonically. The simulation results agree well with the available experimental results. Therefore, the proposed model is proved to be a promising approach for thermoelectric investigations.