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Correlating Atomic Scale Experimental Observations to Develop Three-Dimensional Structural Models for Grain Boundaries in Oxides

Published online by Cambridge University Press:  31 July 2002

James P. Buban ,
Habib O. Moltaji ,
Gerd Duscher  and
Nigel D. Browning
James P. Buban
Affiliation:
University of Illinois at Chicago
Habib O. Moltaji
Affiliation:
University of Illinois at Chicago
Gerd Duscher
Affiliation:
University of Illinois at Chicago
Nigel D. Browning
Affiliation:
University of Illinois at Chicago
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Abstract

Determining the three-dimensional atomic structure of grain boundaries is a crucial first step toward understanding how these defects control the overall bulk properties of materials. In this report we discuss the correlation of experimental atomic resolution Z-contrast images and electron energy loss spectrometry (EELS) to achieve this goal. Initial structural analysis is afforded through empirical bond-valence potentials. This structure is then refined using multiple scattering analysis of the energy loss spectra. These techniques are demonstrated in the analysis of a 27° MgO [001] tilt grain boundary. Through this analysis, we were able to determine specific atomic locations of Ca dopants found present at this grain boundary.

Type
Articles
Information
Microscopy and Microanalysis , Volume 5 , Issue 1 , January 1999 , pp. 48 - 57
Copyright
1999 Microscopy Society of America

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