TY - GEN
T1 - Grain boundary atomic structures in SrTiO3 and BaTiO3
AU - Yamamoto, T.
AU - Mizoguchi, T.
AU - Choi, S. Y.
AU - Sato, Y.
AU - Shibata, N.
AU - Ikuhara, Y.
PY - 2007
Y1 - 2007
N2 - 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.
AB - 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.
UR - https://www.scopus.com/pages/publications/38349176587
UR - https://www.scopus.com/pages/publications/38349176587#tab=citedBy
U2 - 10.4028/0-87849-443-x.851
DO - 10.4028/0-87849-443-x.851
M3 - Conference contribution
AN - SCOPUS:38349176587
SN - 087849443X
SN - 9780878494439
T3 - Materials Science Forum
SP - 851
EP - 856
BT - Recrystallization and Grain Growth III - Proceedings of the Third International Conference on Recrystallization and Grain Growth, ReX and GG III
PB - Trans Tech Publications Ltd
T2 - 3rd International Conference on Recrystallization and Grain Growth, ReX GG III
Y2 - 10 June 2007 through 15 June 2007
ER -