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Thesis

Transferable reduced TB models for elemental Si and N and binary Si-N systems

Abstract:

Silicon nitride is a bulk and a coating material exhibiting excellent mechanical properties. The understanding of the complex processes at the nanometre scale gained through experimental research will be enhanced by the existence of a computationally efficient and accurate model that is able to describe the mechanical properties of silicon nitride. Such a model has yet to be proposed.

In this thesis we present a transferable reduced tight-binding (TB) model for the silicon nitride s...

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Institution:
University of Oxford
Division:
MPLS
Department:
Materials
Oxford college:
St Anne's College
Role:
Author

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Supervisor
Role:
Supervisor
Role:
Supervisor
Publication date:
2013
Type of award:
DPhil
Level of award:
Doctoral
Awarding institution:
University of Oxford

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