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Title: Towards 3D mapping of BO₆ octahedron rotations at perovskite heterointerfaces, unit cell by unit cell

The rich functionalities in the ABO₃ perovskite oxides originate at least partly from the ability of the corner-connected BO₆ octahedral network to host a large variety of cations through distortions and rotations. Characterizing these rotations, which significantly affect both fundamental aspects of materials behavior and possible applications, remains a major challenge. In this work, we have developed a unique method of investigating BO₆ rotation patterns in complex oxides ABO₃ with unit cell resolution at heterointerfaces, where novel properties often emerge. Our method involves column shape analysis in annular bright field - scanning transmission electron microscope images of the ABO₃ heterointerfaces taken in specific orientations. The rotating phase of BO₆ octahedra can be identified for all three spatial dimensions without the need of case-by-case simulation. In several common rotation systems, it is now possible to quantitatively measure all three rotation angles. With this method, we examined interfaces between perovskites with distinct tilt systems as well as interfaces between tilted and untilted perovskites, identifying an unusual coupling behavior at the CaTiO₃/LSAT interface. We believe this unique method will significantly improve our knowledge of the complex oxide heterointerfaces.
 [1] ;  [2] ;  [1] ;  [1] ;  [3] ;  [4] ;  [3] ;  [1] ;  [1]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); The Univ. of Tokyo, Tokyo (Japan)
  3. Drexel Univ., Philadelphia, PA (United States)
  4. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Vanderbilt Univ., Nashville, TN (United States)
Publication Date:
OSTI Identifier:
Grant/Contract Number:
Accepted Manuscript
Journal Name:
ACS Nano
Additional Journal Information:
Journal Volume: 9; Journal Issue: 8; Journal ID: ISSN 1936-0851
American Chemical Society
Research Org:
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
Sponsoring Org:
Country of Publication:
United States