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Binding properties between ferroic oxides and metals
Authors:V Pankoke and S Gemming
Institution:(1) Institute of Ion Beam Physics and Materials Research, Forschungszentrum Dresden-Rossendorf e.V., Bautzner Landstr. 128, 01328 Dresden, Germany
Abstract:Using first principles calculations the binding characteristics of a metallic film covering a piezo-electric oxide is studied. The band structures and the charge densities of interfaces and single compounds are calculated. Comparing the overlaps of the densities of states and the differences in the charge densities, it is found that the interface stabilitydepends on the thickness of the metallic film. The bonding is shown to be a result of charge transfer.
Keywords:PACS" target="_blank">PACS  67  30  hp Interfaces  81  15  -z Methods of deposition of films and coatings  film growth and epitaxy  31  15  ae Electronic structure and bonding characteristics  71  15  -m Methods of electronic structure calculations
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