Physics – Condensed Matter – Materials Science
Scientific paper
2009-03-19
Physics
Condensed Matter
Materials Science
5 pages, 6 figures, accepted by Phys. Rev. B
Scientific paper
10.1103/PhysRevB.79.092505
Charge redistribution at high-Tc superconductor interfaces and grain boundaries on the one hand is problematic for technological application. On the other hand, it gives rise to a great perspective for tailoring the local electronic states. For prototypical (metallic) interfaces, we derive quantitative results for the intrinsic doping of the CuO2-planes, i.e. for the deviation of the charge carrier density from the bulk value. Our data are based on ab-initio supercell calculations within density functional theory. A remarkable hole-underdoping is inherent to the clean interface, almost independent of the interface geometry. On the contrary, cation substitution as well as incorporation of electronegative impurities can compensate the intrinsic charge transfer and provide access to an exact adjustment of the superconductor's doping. The effects of oxygen deficiency are discussed.
Schuster Cosima
Schwingenschloegl Udo
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