Abstract
Strontium Titanate is a prototypical perovskite oxide whose macroscopic electroceramic properties, like varistor and grain boundary barrier layer capacitor (GBBLC) behavior, are controlled by grain boundary (GB) phenomena. In this paper, we present a comparative analysis of the results of both experimental and theoretical investigations of the atomic structure of a (310) symmetrical tilt GB (a Σ=5 (310) [001] GB in the CSL notation) in SrTiO3. Bicrystals of SrTiO3 were procured from Shinkosha Ltd., and electron backscatter kikuchi pattern analysis as well as transmission electron diffraction studies confirm that the GB conforms to the Σ =5 misorientation. The atomic structure of this GB has been investigated using high resolution transmission electron microscopy (HRTEM) and associated image simulations, as well as by atomistic simulations using static iterative energy minimization schemes (“lattice-statics”).2
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