Orbital reconstruction and covalent bonding at an oxide interface

Chakhalian, J.; Freeland, J. W.; Habermeier, H.-U.; Cristiani, G.; Khaliullin, G.; van Veenendaal, M.; Keimer, B.

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Orbital reconstruction and covalent bonding at an oxide interface

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Chakhalian, J.
Department Solid State Spectroscopy (Bernhard Keimer), Max Planck Institute for Solid State Research, Max Planck Society;

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Habermeier, H.-U.
Department Solid State Spectroscopy (Bernhard Keimer), Max Planck Institute for Solid State Research, Max Planck Society;
Scientific Facility Thin Film Technology (Gennady Logvenov), Max Planck Institute for Solid State Research, Max Planck Society;
Department Physical Chemistry of Solids (Joachim Maier), Max Planck Institute for Solid State Research, Max Planck Society;

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Cristiani, G.
Scientific Facility Thin Film Technology (Gennady Logvenov), Max Planck Institute for Solid State Research, Max Planck Society;

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Khaliullin, G.
Department Solid State Spectroscopy (Bernhard Keimer), Max Planck Institute for Solid State Research, Max Planck Society;

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Keimer, B.
Department Solid State Spectroscopy (Bernhard Keimer), Max Planck Institute for Solid State Research, Max Planck Society;

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Citation

Chakhalian, J., Freeland, J. W., Habermeier, H.-U., Cristiani, G., Khaliullin, G., van Veenendaal, M., et al. (2007). Orbital reconstruction and covalent bonding at an oxide interface. Science, 318(5853), 1114-1117.

Cite as: https://hdl.handle.net/21.11116/0000-000E-B7FB-9

Abstract

Orbital reconstructions and covalent bonding must be considered as important factors in the rational design of oxide heterostructures with engineered physical properties. We have investigated the interface between high-temperature superconducting (Y, Ca) Ba2Cu3O7 and metallic La0.67Ca0.33MnO3 by resonant x-ray spectroscopy. A charge of about -0.2 electron is transferred from Mn to Cu ions across the interface and induces a major reconstruction of the orbital occupation and orbital symmetry in the interfacial CuO2 layers. In particular, the Cu d(3z2-r2) orbital, which is fully occupied and electronically inactive in the bulk, is partially occupied at the interface. Supported by exact-diagonalization calculations, these data indicate the formation of a strong chemical bond between Cu and Mn atoms across the interface. Orbital reconstructions and associated covalent bonding are thus important factors in determining the physical properties of oxide heterostructures.