The electronic structure of pristine and acceptor-impurity-incorporated 36.8° symmetric tilt 5 grain boundary in SrTiO was investigated. A relaxed model of the atomic structure of this grain boundary was used for electronic structure calculations. The calculations reveal an increased covalence in the nature of the Ti-O and Sr-O bonds at the SrTiO grain boundary.
|Original language||English (US)|
|Number of pages||10|
|Journal||Journal of the American Ceramic Society|
|State||Published - 1999|
ASJC Scopus subject areas
- Ceramics and Composites
- Materials Chemistry