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How Accurate is Qcbed ? -- the Case of Rutile (TiO2)

Published online by Cambridge University Press:  02 July 2020

B. Jiang ,
J. Friis  and
J.C.H. Spence
B. Jiang
Affiliation:
Department of Physics & Astronomy, Arizona State University, Tempe, AZ85287-1504
J. Friis
Affiliation:
Department of Physics & Astronomy, Arizona State University, Tempe, AZ85287-1504
J.C.H. Spence
Affiliation:
Department of Physics & Astronomy, Arizona State University, Tempe, AZ85287-1504
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Abstract

An accuracy of better than 1% is needed to measure the changes in charge density due to bonding. Here we report an accuracy up to 0.025% (random error) obtained in rutile crystal structure factors measurement by QCBED. This error is the standard deviation in the mean value obtained from ten data sets. Systematic errors may be present. Figure 1 gives an example of the (200) refinement results. Table 1 lists several low order structure factor refinement results. The accuracy of the measured electron structure factors was 0.1-0.2% but after conversion to x-ray structure factors, the accuracy for low orders improved due to the Mott formula [1] For (110) and (101) reflections, the accuracy in x-ray structure factors became 0.025% and 0.048% respectively. This accuracy is equivalent to that of the X-ray single crystal Pendellosung method on silicon crystals [2].

The experiments were done on a Leo 912 Omega TEM.

Type
Diffraction Techniques in TEM and SEM
Information
Microscopy and Microanalysis , Volume 7 , Issue S2: Proceedings: Microscopy & Microanalysis 2001, Microscopy Society of America 59th Annual Meeting, Microbeam Analysis Society 35th Annual Meeting, Long Beach, California August 5-9, 2001 , August 2001 , pp. 368 - 369
Copyright
Copyright © Microscopy Society of America 2001

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References

1.Spence, J.C.H. and Zuo, J.M., Electron Microdiffraction, Plenum press (1992)CrossRefGoogle Scholar
2.Aldred, P.J. and Hart, M.Proc. R. Soc. A 332 (1988).p243Google Scholar
3.Zuo, J.M.,Materials Transaction, JIM. 39(9) (1998). p938CrossRefGoogle Scholar
4.Sorantin, PL, and Schwartz, K.Inorg. Chem. 31 (1992). p567CrossRefGoogle Scholar
5.Jiang, B. et al Acta Cryst A. submitted (2001)Google Scholar
6. NSF award DMR9973894. We thank Prof. J.M.Zuo for useful discussions.Google Scholar