Structures of a Σ = 9, [110]/{221} symmetrical tilt grain boundary in SrTiO3

T. Mitsuma, T. Tohei, N. Shibata, T. Mizoguchi, T. Yamamoto, Y. Ikuhara

Research output: Contribution to journalArticlepeer-review

8 Citations (Scopus)


In this study, we fabricated a bicrystal of SrTiO3 containing a Σ = 9, [110]/{221} symmetric tilt grain boundary (GB) and its atomistic structure was directly observed by transmission electron microscopy (TEM) and scanning TEM (STEM). We theoretically estimated the most stable structure by first principles calculations, and by combining this with TEM images determined the atomistic structure of the Σ = 9 grain boundary. We found that when the grain boundary is slightly tilted from the coincident site lattice (CSL) orientation, displacement shift complete (DSC) dislocations are introduced at the grain boundary to accommodate the misorientation between the two adjacent crystals while the most stable atomic structure remains unchanged.

Original languageEnglish
Pages (from-to)4162-4168
Number of pages7
JournalJournal of Materials Science
Issue number12
Publication statusPublished - 2011 Jun
Externally publishedYes

ASJC Scopus subject areas

  • Materials Science(all)
  • Mechanics of Materials
  • Mechanical Engineering


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