Atomic structure of the (310) symmetrical tilt grain boundary in strontium titanate - a comparison among experimental methods and atomistic simulations
- GE Corporate Research and Development, Schenectady, NY (United States)
- Northwestern Univ., Evanston, IL (United States)
- Argonne National Lab., IL (United States)
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) {Sigma}=5 (310) [001] GB in the CSL notation in SrTiO{sub 3}. Bicrystals of SrTiO{sub 3} were procured from diffraction studies confirm that the GB conforms to the {Sigma} =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 ({open_quotes}lattice-statics{close_quotes}).
- OSTI ID:
- 468817
- Report Number(s):
- CONF-960877--
- Country of Publication:
- United States
- Language:
- English
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