Statistical Estimation of Atomic Positions from Exit Wave Reconstruction with a Precision in the Picometer Range

Sara Bals, Sandra Van Aert, Gustaaf Van Tendeloo, and David Ávila-Brande
Phys. Rev. Lett. 96, 096106 – Published 10 March 2006

Abstract

The local structure of Bi4W2/3Mn1/3O8Cl is determined using quantitative transmission electron microscopy. The electron exit wave, which is closely related to the projected crystal potential, is reconstructed and used as a starting point for statistical parameter estimation. This method allows us to refine all atomic positions on a local scale, including those of the light atoms, with a precision in the picometer range. Using this method one is no longer restricted to the information limit of the electron microscope. Our results are in good agreement with x-ray powder diffraction data demonstrating the reliability of the method. Moreover, it will be shown that local effects can be interpreted using this approach.

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  • Received 15 November 2005

DOI:https://doi.org/10.1103/PhysRevLett.96.096106

©2006 American Physical Society

Authors & Affiliations

Sara Bals1,*, Sandra Van Aert1, Gustaaf Van Tendeloo1, and David Ávila-Brande2

  • 1Electron Microscopy for Materials Science (EMAT), University of Antwerp, Groenenborgerlaan 171, 2020 Antwerp, Belgium
  • 2Departamento Química Inorgánica, Facultad CC. Químicas, Universidad Complutense E-28040, Madrid, Spain

  • *Electronic address: Sara.Bals@ua.ac.be

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Vol. 96, Iss. 9 — 10 March 2006

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