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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Loughborough University
2007
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| Online Access: | http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.488516 |
| Summary: | 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. |
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