Ab initio studies of SrTiO3(001) surface reconstructions

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 ra...

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Bibliographic Details

Main Author:	Benjamin D. Ringham
Format:	Default Thesis
Published:	2007
Subjects:	Other mathematical sciences not elsewhere classified untagged Mathematical Sciences not elsewhere classified
Online Access:	https://hdl.handle.net/2134/9844
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