[15p-2J-1~10] Forefront of research on atomic and nano-scaled functionalities in oxides

[15p-2J-1] Atomic Structure Characterization of Oxide Interfaces and Their Properties

〇Ikuhara Yuichi^1,2,3 (1.Tokyo Univ., 2.JFCC, 3.Tohoku Univ.)

Keywords:interface,aberration-corrected STEM,segregation

Grain boundary (GB) atomic structures are dependent on the GB characters such as misorientation angle and GB planes. In addition, GB structures are also influenced by the segregated dopants and vacancies to form the relaxed and stable structures. It is therefore needed to investigate the sites of vacancies and dopants segregated at GB, depending on the GB characters, to fully understand GB atomic structures, which are related to the material’s properties. In this study, various types of GBs were systematically fabricated for doped and pristine oxides by the bicrystal techniques, and the structures were characterized with an atomic scale by aberration-corrected STEM, EELS and EDS. Based on the experimental results, the role of segregated dopants and vacancies to change the GB structures and macroscopic properties were investigated by first principles calculation.