| Summary: | In this work, Density Functional based Tight Binding methods are used according to the Non-Equilibrium Greens Function method, to calculate the thermoelectric properties of phosphorus materials and tin sulfide phases. The effects of several types of phase transitions, on the thermoelectric properties of these layered materials, are considered. It is shown that, not only is consideration of structural and electronic rearrangements within the operating conditions of thermoelectric materials necessary, but that the presence of structural phase transitions, in the absence of an electronic phase transition, may in fact be a powerful means of enhancing the thermoelectric properties of a material.
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