Insulator-metal transition in the doped 3d1 transition metal oxide LaTiO3

L. Craco, M. S. Laad, S. Leoni, and E. Müller-Hartmann
Phys. Rev. B 70, 195116 – Published 18 November 2004

Abstract

The doping induced insulator-metal transition in La1xSrxTiO3 is studied using the ab initio local density approximation (LDA) and DMFT method. Combining the LDA bandstructure for the actual, distorted structure found recently with multiorbital DMFT to treat electronic correlations, we find (i) ferro-orbital order in the Mott insulating state without orbital degeneracy, (ii) a continuous filling induced transition to the paramagnetic metal (PM) with x, and (iii) excellent quantitative agreement with published photoemission data for the case of 6% doping. Our results imply that this system can be described as a Mott-Hubbard system without orbital (liquid) degeneracy.

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  • Received 1 September 2004

DOI:https://doi.org/10.1103/PhysRevB.70.195116

©2004 American Physical Society

Authors & Affiliations

L. Craco1, M. S. Laad1, S. Leoni2, and E. Müller-Hartmann1

  • 1Institut für Theoretische Physik, Universität zu Köln, Zülpicher Strasse, 50937 Köln, Germany
  • 2Max-Planck-Institut für Chemische Physik fester Stoffe, 01187 Dresden, Germany

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Issue

Vol. 70, Iss. 19 — 15 November 2004

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