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Title: Atomic structure of the (310) symmetrical tilt grain boundary in strontium titanate - a comparison among experimental methods and atomistic simulations

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) {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}).

Authors:
 [1];  [2];  [3]
  1. GE Corporate Research and Development, Schenectady, NY (United States)
  2. Northwestern Univ., Evanston, IL (United States)
  3. Argonne National Lab., IL (United States)
Publication Date:
OSTI Identifier:
468817
Report Number(s):
CONF-960877-
TRN: 97:001308-0073
Resource Type:
Conference
Resource Relation:
Conference: Microscopy and microanalysis 1996, Minneapolis, MN (United States), 11-15 Aug 1996; Other Information: PBD: 1996; Related Information: Is Part Of Microscopy and microanalysis 1996; Bailey, G.W.; Corbett, J.M.; Dimlich, R.V.W.; Michael, J.R.; Zaluzec, N.J. [eds.]; PB: 1107 p.
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; STRONTIUM TITANATES; GRAIN BOUNDARIES; MICROSTRUCTURE; BICRYSTALS; TRANSMISSION ELECTRON MICROSCOPY

Citation Formats

Ravikumar, V, Dravid, V P, and Wolf, D. Atomic structure of the (310) symmetrical tilt grain boundary in strontium titanate - a comparison among experimental methods and atomistic simulations. United States: N. p., 1996. Web.
Ravikumar, V, Dravid, V P, & Wolf, D. Atomic structure of the (310) symmetrical tilt grain boundary in strontium titanate - a comparison among experimental methods and atomistic simulations. United States.
Ravikumar, V, Dravid, V P, and Wolf, D. 1996. "Atomic structure of the (310) symmetrical tilt grain boundary in strontium titanate - a comparison among experimental methods and atomistic simulations". United States.
@article{osti_468817,
title = {Atomic structure of the (310) symmetrical tilt grain boundary in strontium titanate - a comparison among experimental methods and atomistic simulations},
author = {Ravikumar, V and Dravid, V P and Wolf, D},
abstractNote = {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}).},
doi = {},
url = {https://www.osti.gov/biblio/468817}, journal = {},
number = ,
volume = ,
place = {United States},
year = {1996},
month = {12}
}

Conference:
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