Theoretical Investigations of Interfaces in Electroceramic Materials

  1. Prof. Dr. M. Rühle2 and
  2. Prof. Dr. H. Gleiter3
  1. P.D. Bristowe and
  2. H.S. Domingos

Published Online: 23 DEC 2005

DOI: 10.1002/352760622X.ch36

Interface Controlled Materials, Volume 9

Interface Controlled Materials, Volume 9

How to Cite

Bristowe, P.D. and Domingos, H.S. (2000) Theoretical Investigations of Interfaces in Electroceramic Materials, in Interface Controlled Materials, Volume 9 (eds M. Rühle and H. Gleiter), Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, FRG. doi: 10.1002/352760622X.ch36

Editor Information

  1. 2

    Max-Planck-Institut für Metallforschung, Seestraße 92, 70174 Stuttgart, Germany

  2. 3

    Forschungszentrum Karlsruhe, Postfach 3640, 76021 Karlsruhe, Germany

Author Information

  1. Department of Materials Science and Metallurgy, University of Cambridge, United Kingdom

Publication History

  1. Published Online: 23 DEC 2005
  2. Published Print: 27 JUN 2000

Book Series:

  1. EUROMAT 99

ISBN Information

Print ISBN: 9783527301911

Online ISBN: 9783527606221

SEARCH

Keywords:

  • interface controlled materials;
  • interfaces in electroceramic materials;
  • theoretical investigations

Summary

We review some recent computer modelling studies of grain boundaries in electroceramics. The paper focuses on rutile and zinc oxide which both have electronic device applications. The computational methodologies employed in these investigations, both classical and quantum mechanical, are described. Although the number of calculations is limited, there are indications that undoped symmetrical grain boundaries in rutile and zinc oxide are not electrically active whereas doped boundaries do exhibit interface states in the band gap which will influence the electrical properties of the material.