Related Experiment Video
Updated: Jul 10, 2026
08:45
Fabrication of Spatially Confined Complex Oxides
Published on: July 1, 2013
Orbital reconstruction and covalent bonding at an oxide interface
J Chakhalian1, J W Freeland, H-U Habermeier
1University of Arkansas, Fayetteville, AR 72701, USA. jchakhal@uark.edu
Science (New York, N.Y.)
|October 13, 2007
Summary
Orbital reconstructions at the interface between oxide heterostructures drive covalent bonding. This study reveals charge transfer and orbital changes in copper-manganese oxides, impacting material properties.
Area of Science:
- Materials Science
- Condensed Matter Physics
- Solid-State Chemistry
Background:
- Oxide heterostructures offer tunable physical properties.
- Understanding interfacial phenomena is crucial for designing advanced materials.
Purpose of the Study:
- Investigate the interface between (Y,Ca)Ba(2)Cu3O7 and La(0.67)Ca(0.33)MnO3.
- Elucidate the role of orbital reconstructions and covalent bonding.
Main Methods:
- Resonant X-ray spectroscopy.
- Exact-diagonalization calculations.
Main Results:
- Observed charge transfer of approximately -0.2 electron from Mn to Cu ions.
- Significant reconstruction of orbital occupation and symmetry in interfacial CuO2 layers.
- Partial occupation of the Cu d(3z(2)-r(2)) orbital at the interface.
Conclusions:
- Strong covalent bonding forms between Cu and Mn atoms across the interface.
- Orbital reconstructions are key to understanding and engineering oxide heterostructure properties.
Related Concept Videos
02:40MO Theory and Covalent Bonding
The molecular orbital theory describes the distribution of electrons in molecules in a manner similar to the distribution of electrons in atomic orbitals. The region of space in which a valence electron in a molecule is likely to be found is called a molecular orbital. Mathematically, the linear combination of atomic orbitals (LCAO) generates molecular orbitals. Combinations of in-phase atomic orbital wave functions result in regions with a high probability of electron density, while...
02:38Valence Bond Theory and Hybridized Orbitals
According to valence bond theory, a covalent bond results when: (1) an orbital on one atom overlaps an orbital on a second atom, and (2) the single electrons in each orbital combine to form an electron pair. The strength of a covalent bond depends on the extent of overlap of the orbitals involved. Maximum overlap is possible when the orbitals overlap on a direct line between the two nuclei.
A σ bond (single bond in a Lewis structure) is a covalent bond in which the electron density is...
A σ bond (single bond in a Lewis structure) is a covalent bond in which the electron density is...
03:24Hybridization of Atomic Orbitals I
The mathematical expression known as the wave function, ψ, contains information about each orbital and the wavelike properties of electrons in an isolated atom. When atoms are bound together in a molecule, the wave functions combine to produce new mathematical descriptions that have different shapes. This process of combining the wave functions for atomic orbitals is called hybridization and is mathematically accomplished by the linear combination of atomic orbitals. The new orbitals that...
03:35Hybridization of Atomic Orbitals II
sp3d and sp3d 2 Hybridization
02:32Bonding in Metals
Metallic bonds are formed between two metal atoms. A simplified model to describe metallic bonding has been developed by Paul Drüde called the “Electron Sea Model”.
03:51Molecular Orbital Theory II
Molecular Orbital Energy Diagrams