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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
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  tilt grain boundary. Through this analysis, we were able to determine specific atomic locations of Ca dopants found present at this grain boundary.
- Microscopy and Microanalysis , Volume 5 , Issue 1 , January 1999 , pp. 48 - 57
- 1999 Microscopy Society of America