Abstract
Quantitative evaluation rather than visual inspection of HRTEM images provides objective, reproducible, and very accurate information on the atomistic structure of internal interfaces. This paper explains the method we have developed to analyze the structure of grain boundaries. To demonstrate the power of our approach we present an analysis of the Σ3 (111) grain boundary in SrTiO3. We have determined the coordinates of the atom columns at this interface with a precision of 0.015 nm. Thus, our experimental results provide a sensitive test for physical theories and model structures obtained by computer simulation. First results of computer modeling are presented in this paper. The calculated structure of minimum energy has the same characteristic features as the structure determined by experiment.
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Acknowledgment
We thank Mike Finnis for discussion of the numerical structure calculations and Manfred Rühle for comments on the manuscript.
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Kienzle, O., Exner, M. & Ernst, F. Analysis of Interface Structures by Quantitative High-Resolution Transmission Electron Microscopy. MRS Online Proceedings Library 466, 95–106 (1996). https://doi.org/10.1557/PROC-466-95
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DOI: https://doi.org/10.1557/PROC-466-95