On the subject of phase transitions and thermoelectric properties

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 propertie...

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Bibliographic Details
Main Author:	Hardie, Duncan
Published:	Cardiff University 2018
Subjects:	QD Chemistry
Online Access:	https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.768084

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spelling	ndltd-bl.uk-oai-ethos.bl.uk-7680842019-04-03T06:49:23ZOn the subject of phase transitions and thermoelectric propertiesHardie, Duncan2018In 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.QD ChemistryCardiff Universityhttps://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.768084http://orca.cf.ac.uk/120107/Electronic Thesis or Dissertation
collection	NDLTD
sources	NDLTD
topic	QD Chemistry
spellingShingle	QD Chemistry Hardie, Duncan On the subject of phase transitions and thermoelectric properties
description	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.
author	Hardie, Duncan
author_facet	Hardie, Duncan
author_sort	Hardie, Duncan
title	On the subject of phase transitions and thermoelectric properties
title_short	On the subject of phase transitions and thermoelectric properties
title_full	On the subject of phase transitions and thermoelectric properties
title_fullStr	On the subject of phase transitions and thermoelectric properties
title_full_unstemmed	On the subject of phase transitions and thermoelectric properties
title_sort	on the subject of phase transitions and thermoelectric properties
publisher	Cardiff University
publishDate	2018
url	https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.768084
work_keys_str_mv	AT hardieduncan onthesubjectofphasetransitionsandthermoelectricproperties
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On the subject of phase transitions and thermoelectric properties

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