Grain boundary atomic structures in SrTiO3 and BaTiO3

T. Yamamoto, T. Mizoguchi, S. Y. Choi, Y. Sato, N. Shibata, Y. Ikuhara

Research output: Chapter in Book/Report/Conference proceedingConference contribution

1 Citation (Scopus)


SrTiO3 bicrystals with various types of grain boundaries were prepared by joining two single crystals at high temperature. By using the bicrystals, we examined their current-voltage characteristics across single grain boundaries from a viewpoint of point defect segregation in the vicinity of the grain boundaries. Current-voltage property in SrTiO3 bicrystals was confirmed to show a cooling rate dependency from annealing temperature, indicating that cation vacancies accumulate due to grain boundary oxidation. The theoretical results obtained by ab-initio calculation clearly showed that the formation energy of Sr vacancies is the lowest comparing with Ti and O vacancies in oxidized atomosphere. The formation of a double Schottky barrier (DSB) in n-type SrTiO3 is considered to be closely related to the accumulation of the charged Sr vacancies. Meanwhile, by using three types of low angle boundaries, the excess charges related to one grain boundary dislocation par unit length was estimated. In this study, we summarized our results obtained in our group.

Original languageEnglish
Title of host publicationRecrystallization and Grain Growth III - Proceedings of the Third International Conference on Recrystallization and Grain Growth, ReX and GG III
PublisherTrans Tech Publications Ltd
Number of pages6
EditionPART 2
ISBN (Print)087849443X, 9780878494439
Publication statusPublished - 2007
Externally publishedYes
Event3rd International Conference on Recrystallization and Grain Growth, ReX GG III - Jeju Island, Korea, Republic of
Duration: 2007 Jun 102007 Jun 15

Publication series

NameMaterials Science Forum
NumberPART 2
ISSN (Print)0255-5476
ISSN (Electronic)1662-9752


Other3rd International Conference on Recrystallization and Grain Growth, ReX GG III
Country/TerritoryKorea, Republic of
CityJeju Island


  • BaTiO
  • EDS
  • EELS
  • Grain boundary
  • Point defect
  • SrTiO

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering


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