New approach for the dynamical simulation of CBED patterns in heavily strained specimens

• Published in: Ultramicroscopy Vol. 108; no. 5; pp. 426 - 432
• Main Authors: Houdellier, F., Altibelli, A., Roucau, C., Casanove, M.J.
• Format: Journal Article
• Language: English
• Published: Netherlands Elsevier B.V 01.04.2008; Elsevier
• Subjects: Accelerator Physics; Convergent beam electron diffraction; Dynamical theory of electron diffraction; Electromagnetism; Engineering Sciences; High Energy Physics - Experiment; Materials; Optics; Photonic; Physics; Quantum Physics; Signal and Image processing; Strained layers; Strained layers; 68.60.Bs; Dynamical theory of electron diffraction; 61.14.Lj; 61.14.Dc; Convergent beam electron diffraction
• ISSN: 0304-3991; 1879-2723
• DOI: 10.1016/j.ultramic.2007.06.002

A new method for the dynamical simulation of convergent beam electron diffraction (CBED) patterns is proposed. In this method, the three-dimensional stationary Schrödinger equation is replaced by a two-dimensional time-dependent equation, in which the direction of propagation of the electron beam, variable z, stands as a time. We demonstrate that this approach is particularly well-suited for the calculation of the diffracted intensities in the case of a z-dependent crystal potential. The corresponding software has been developed and implemented for simulating CBED patterns of various specimens, from perfect crystals to heavily strained cross-sectional specimens. Evidence is given for the remarkable agreement between simulated and experimental patterns.