Theory and simulation of semiconducting nanowires for thermoelectric applications
In this Thesis we present novel, robust and general algorithms for combining planewave density-functional theory with the Landauer-Buttiker transport formalism. The method automates this process with minimal user input to allow a high throughput of calculations. We make use of a maximally-localised...
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Imperial College London
2011
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| Online Access: | http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.533608 |