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Thesis

The atomistic modelling approach to designing new metal-boride superconductors

Abstract:

A series of metal-boride compounds have been studied using density functional theory with the goal of discovering and designing new superconductors with the highest possible superconducting critical temperature (Tc). The materials design process involves predicting crystal structures using an evolutionary algorithm followed by the calculation of the Tc for any metallic structures using the Migdal-Eliashberg theory. The reasons for superconductivity are rationalised th...

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Institution:
University of Oxford
Research group:
Materials Modelling Laboratory
Department:
Mathematical,Physical & Life Sciences Division - Materials

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Role:
Supervisor
Publication date:
2013
Type of award:
DPhil
Level of award:
Doctoral

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