Electronic charge and orbital reconstruction at cuprate-titanate interfaces - Condensed Matter > Strongly Correlated ElectronsReportar como inadecuado




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Abstract: In complex transition metal oxide heterostructures of physically dissimilarperovskite compounds, interface phenomena can lead to novel physical propertiesnot observed in either of their constituents. This remarkable feature opens newprospects for technological applications in oxide electronic devices based onnm-thin oxide films. Here we report on a significant electronic charge andorbital reconstruction at interfaces between YBa2Cu3O6 and SrTiO3 studied usinglocal spin density approximation LSDA with intra-atomic Coulomb repulsionLSDA+U. We show that the interface polarity results in the metallicity ofcuprate-titanate superlattices with the hole carriers concentratedpredominantly in the CuO2 and BaO layers and in the first interface TiO2 andSrO planes. We also find that the interface structural relaxation causes astrong change of orbital occupation of Cu 3d orbitals in the CuO2 layers. Theconcomitant change of Cu valency from +2 to +3 is related to the partialoccupation of the Cu $3d {3z^2-r^2}$ orbitals at the interface with SrO planesterminating SrTiO3. Interface-induced predoping and orbital reconstruction inCuO2 layers are key mechanisms which control the superconducting properties offield-effect devices developed on the basis of cuprate-titanateheterostructures.



Autor: Natalia Pavlenko, Thilo Kopp

Fuente: https://arxiv.org/



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