https://doi.org/10.1140/epjb/e2009-00008-8
Binding properties between ferroic oxides and metals
Institute of Ion Beam Physics and Materials Research, Forschungszentrum Dresden-Rossendorf e.V., Bautzner Landstr. 128, 01328 Dresden, Germany
Corresponding author: a v.pankoke@fzd.de
Received:
26
June
2008
Revised:
28
November
2008
Published online:
13
January
2009
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 stability depends on the thickness of the metallic film. The bonding is shown to be a result of charge transfer.
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
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 2009
