Journal
EPL
Volume 96, Issue 5, Pages -Publisher
EPL ASSOCIATION, EUROPEAN PHYSICAL SOCIETY
DOI: 10.1209/0295-5075/96/57004
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Funding
- U.S. Department of Energy, Office of Science [DEAC02-06CH11357]
- DOD-ARO [0402-17291]
- NSF [DMR-0747808]
- DFG [TRR80]
- Leibniz Rechenzentrum
- Direct For Mathematical & Physical Scien
- Division Of Materials Research [747808] Funding Source: National Science Foundation
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In pursuit of rational control of orbital polarization, we present a combined experimental and theoretical study of single-unit-cell superlattices of the correlated metal LaNiO3 and the band insulator LaAlO3. Polarized X-ray absorption spectra show a distinct asymmetry in the orbital response under strain. A splitting of orbital energies consistent with octahedral distortions is found for the case of compressive strain. In sharp contrast, for tensile strain, no splitting is found although a strong orbital polarization is present. Density functional theory calculations including a Hubbard U-term reveal that this asymmetry is a result of the interplay of strain and confinement that induces octahedral rotations and distortions and altered covalency in the bonding across the interfacial Ni-O-Al apical oxygen, leading to a charge disproportionation at the Ni sites for tensile strain. Copyright (C) EPLA, 2011
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