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On the subject of phase transitions and thermoelectric properties

Hardie, Duncan 2018. On the subject of phase transitions and thermoelectric properties. PhD Thesis, Cardiff University.
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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.

Item Type: Thesis (PhD)
Date Type: Completion
Status: Unpublished
Schools: Chemistry
Subjects: Q Science > QD Chemistry
Date of First Compliant Deposit: 1 March 2019
Last Modified: 30 Mar 2021 09:46

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