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Surface Charge of Clean LiNbO3 Z-Cut Surfaces

  • S. Sanna
  • U. Gerstmann
  • E. Rauls
  • Y. Li
  • M. Landmann
  • A. Riefer
  • M. Rohrmüller
  • N. J. Vollmers
  • M. Witte
  • R. Hölscher
  • A. Lücke
  • C. Braun
  • S. Neufeld
  • K. Holtgrewe
  • W. G. SchmidtEmail author
Conference paper

Abstract

The geometry of the polar LiNbO3 (0001) surface is strongly temperature dependent. In this work the surface charge associated to various surface terminations is estimated from first-principles calculations. All stable terminations are found to lower the polarization charge, showing that the surface charge compensation is a major driving force for surface reconstruction.

Keywords

Surface Charge Surface Reconstruction Spontaneous Polarization Polarization Charge Paraelectric Phase 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

Notes

Acknowledgements

The calculations were done using grants of computer time from the Höchstleistungs-Rechenzentrum Stuttgart (HLRS) and the Paderborn Center for Parallel Computing (PC2). The Deutsche Forschungsgemeinschaft is acknowledged for financial support.

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Copyright information

© Springer International Publishing Switzerland 2015

Authors and Affiliations

  • S. Sanna
    • 1
  • U. Gerstmann
    • 1
  • E. Rauls
    • 1
  • Y. Li
    • 1
  • M. Landmann
    • 1
  • A. Riefer
    • 1
  • M. Rohrmüller
    • 1
  • N. J. Vollmers
    • 1
  • M. Witte
    • 1
  • R. Hölscher
    • 1
  • A. Lücke
    • 1
  • C. Braun
    • 1
  • S. Neufeld
    • 1
  • K. Holtgrewe
    • 1
  • W. G. Schmidt
    • 1
    Email author
  1. 1.Lehrstuhl für Theoretische PhysikUniversität PaderbornPaderbornGermany

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