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Title: Ab-initio studies of SrTiO3(001) surface reconstructions
Author: Ringham, Benjamin David
ISNI:       0000 0001 3519 5280
Awarding Body: Loughborough University
Current Institution: Loughborough University
Date of Award: 2007
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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.
Supervisor: Not available Sponsor: Not available
Qualification Name: Thesis (Ph.D.) Qualification Level: Doctoral
EThOS ID:  DOI: Not available