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Ab initio studies of SrTiO3(001) surface reconstructions

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thesis
posted on 24.05.2012, 09:48 authored by Benjamin D. Ringham
A number of SrTiO3(001) surface reconstructions have been studied using Plato, Package for Linear Combinations of Atomic Type Orbitals, a first principles density functional theory approach. Energy calculations have been performed for each surface reconstruction, and phase diagrams produced for a range of temperatures and pressures.

History

School

  • Science

Department

  • Mathematical Sciences

Publisher

© B. Ringham

Publication date

2007

Notes

A Doctoral Thesis. Submitted in partial fulfillment of the requirements for the award of Doctor of Philosophy of Loughborough University.

EThOS Persistent ID

uk.bl.ethos.488516

Language

en

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