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Please use this identifier to cite or link to this item: https://dspace.lboro.ac.uk/2134/9844

Title: Ab initio studies of SrTiO3(001) surface reconstructions
Authors: Ringham, Benjamin D.
Issue Date: 2007
Publisher: © B. Ringham
Abstract: 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.
Description: A Doctoral Thesis. Submitted in partial fulfillment of the requirements for the award of Doctor of Philosophy of Loughborough University.
URI: https://dspace.lboro.ac.uk/2134/9844
Appears in Collections:PhD Theses (Maths)

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