title: Dynamical mean-field theory of nickelate superlattices.
abstract: Dynamical mean-field methods are used to calculate the phase diagram, many-body density of states, relative orbital occupancy, and Fermi-surface shape for a realistic model of LaNiO(3)-based superlattices. The model is derived from density-functional band calculations and includes oxygen orbitals. The combination of the on-site Hunds interaction and charge transfer between the transition metal and the oxygen orbitals is found to reduce the orbital polarization far below the levels predicted either by band-structure calculations or by many-body analyses of Hubbard-type models which do not explicitly include the oxygen orbitals. The findings indicate that heterostructuring is unlikely to produce one band-model physics and demonstrate the fundamental inadequacy of modeling the physics of late transition-metal oxides with Hubbard-like models.
authors.affiliation: Department of Physics, Columbia University, New York, New York 10027, USA.
authors.forename: M J
authors.initials: MJ
authors.lastname: Han
authors.forename: Xin
authors.initials: X
authors.lastname: Wang
authors.forename: C A
authors.initials: CA
authors.lastname: Marianetti
authors.forename: A J
authors.initials: AJ
authors.lastname: Millis