Lattice-polarization effects on electron-gas charge densities in ionic superlattices

D. R. Hamann, D. A. Muller, and H. Y. Hwang
Phys. Rev. B 73, 195403 – Published 4 May 2006

Abstract

The atomic-level control achievable in artificially structured oxide superlattices provides a unique opportunity to explore interface phases of matter including high-density two-dimensional (2D) electron gases. Electronic-structure calculations show that the charge distribution introduced by LaTiO3 monolayers in SrTiO3 is strongly modulated by electron-phonon interactions with significant ionic polarization. Anharmonic finite-temperature effects must be included to reproduce experiment. Density functional perturbation theory is used to parametrize a simple model introduced to represent these effects and predict temperature dependencies.

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  • Received 12 January 2006

DOI:https://doi.org/10.1103/PhysRevB.73.195403

©2006 American Physical Society

Authors & Affiliations

D. R. Hamann1,2,3, D. A. Muller4, and H. Y. Hwang5,6

  • 1Bell Laboratories, Lucent Technologies, Murray Hill, New Jersey 07904, USA
  • 2Department of Physics and Astronomy, Rutgers University, Piscataway, New Jersey 08854, USA
  • 3Mat-Sim Research LLC, Murray Hill, New Jersey 07904, USA
  • 4Cornell Center for Materials Research, Cornell University, Ithaca, New York 14853, USA
  • 5Department of Advanced Materials Science, University of Tokyo, Kashiwa, Chiba 277-8561, Japan
  • 6Japan Science and Technology Agency, Kawaguchi 332-0012, Japan

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Issue

Vol. 73, Iss. 19 — 15 May 2006

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