Acta Cryst. (2006). A62, 208-216 [ doi:10.1107/S010876730601004X ]
Abstract: A reasonably detailed analysis of the effects of charge redistribution on both X-ray and electron structure factors as well as for high-resolution electron-microscope images are presented for a series of light-element oxides. The charge redistribution leads to differences of 2-3% for the X-ray structure factors and 5-7% for electron structure factors in the 0-0.5 Å-1 region. There are detectable changes in images of about 10% of the contrast, somewhat dependent upon the alignment of atom columns, specimen thickness and defocus. These studies suggest that charge redistribution may be detectable using a Cc-limited aberration-corrected microscope with a specimen thickness of about 50 Å.
Keywords: charge redistribution; electron microscopy; HREM image simulation; structure factors.
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