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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
Oxford college:
St Anne's College
Department:
Mathematical,Physical & Life Sciences Division - Materials
Role:
Author

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Role:
Supervisor
Role:
Supervisor
Role:
Supervisor
Publication date:
2013
Type of award:
DPhil
Level of award:
Doctoral
URN:
uuid:002b0c99-0e9d-4d8c-a0dc-ad07383f083f
Local pid:
ora:11890

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