Electronic structure of nickelates: From two-dimensional heterostructures to three-dimensional bulk materials

P. Hansmann, A. Toschi, Xiaoping Yang, O. K. Andersen, and K. Held
Phys. Rev. B 82, 235123 – Published 16 December 2010

Abstract

Reduced dimensionality and strong electronic correlations, which are among the most important ingredients for cupratelike high-Tc superconductivity, characterize also the physics of nickelate-based heterostructures. Starting from the local-density approximation we arrive at a simple two-band model for quasi-two-dimensional (2D) LaNiO3/LaAlO3 heterostructures and extend it by introducing an appropriate hopping in the z direction to describe the dimensional crossover to three dimensions (3D). Using dynamical mean-field theory, we study the effects of electronic correlations with increasing interaction strength along the crossover from 2D to 3D. Qualitatively, the effects of electronic correlations are surprisingly similar, albeit quantitatively larger interaction strengths are required in three dimensions for getting a Mott-Hubbard insulating state. The exchange parameters of an effective Kugel-Khomskii-type spin-orbital model are also derived and reveal strong antiferromagnetic tendencies.

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  • Received 9 September 2010

DOI:https://doi.org/10.1103/PhysRevB.82.235123

©2010 The American Physical Society

Authors & Affiliations

P. Hansmann1, A. Toschi1, Xiaoping Yang2, O. K. Andersen2, and K. Held1

  • 1Institute for Solid State Physics, Vienna University of Technology, 1040 Vienna, Austria
  • 2Max-Planck-Institut für Festkörperforschung, 70569 Stuttgart, Germany

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Vol. 82, Iss. 23 — 15 December 2010

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