Calculation and Variation of Thermoelectric Properties of Phase Transition Materials

Thermoelectric materials are defined as materials which can convert heat into electrical energy. Thermoelectric materials are often used for applications such as power generation or refrigeration. Because of the applications for thermoelectric materials, it is important to understand the electrical-to-thermal coupling behavior of such materials. The thermoelectric materials simulated are 2D film configurations of Tin Selenide (SnSe). Using the derivations for non-equilibrium electron-phonon dynamics as well as obtaining the phonon dispersions, second-order and third-order elastic constants, the thermoelectric properties can be calculated. For the purposes of this paper, the correlation of thermoelectric properties such as thermopwer, thermal conductivitty, and thermoelectric figure of merit with parameters such as the characteristic length of the 2D material as well as the applied voltages of 0 V/m, 10,000 V/m, and 20,000 V/m over the 2D material. Furthermore, an analysis on the effect of strain on the thermoelectric properties of SnSe is conducted.