Distortion and Segregation in a Dislocation Core Region at Atomic Resolution

X. Xu, S. P. Beckman, P. Specht, E. R. Weber, D. C. Chrzan, R. P. Erni, I. Arslan, N. Browning, A. Bleloch, and C. Kisielowski

Phys. Rev. Lett. 95, 145501 – Published 28 September 2005

Abstract

The structure of an isolated, Ga terminated, 30° partial dislocation in $GaAs ∶ Be$ is determined by high resolution transmission electron microscopes and focal series reconstruction. The positions of atomic columns in the core region are measured to an accuracy of better than 10 pm. A quantitative comparison of the structure predicted by an ab initio electronic structure total energy calculation to the experiment indicates that theory and experiment agree to within 20 pm. Further analysis shows the deviations between theory and experiment appear to be systematic. Electron energy loss spectroscopy establishes that defects segregate to the core region, thus accounting for the systematic deviations.

Received 17 February 2005

DOI:https://doi.org/10.1103/PhysRevLett.95.145501

Authors & Affiliations

X. Xu^1,2, S. P. Beckman^1,3,†, P. Specht¹, E. R. Weber^1,3, D. C. Chrzan^1,3, R. P. Erni⁴, I. Arslan⁴, N. Browning^2,4, A. Bleloch⁵, and C. Kisielowski^2,*

¹Department of Materials Science and Engineering, University of California, Berkeley, California 94720, USA
²National Center for Electron Microscopy, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA
³Material Science Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA
⁴Department of Chemical Engineering and Materials Science, University of California, Davis, California 95616, USA
⁵UK SuperSTEM, Daresbury Laboratory, Daresbury, Cheshire, WA4 4AD, United Kingdom

^*Corresponding author. Present address: National Center for Electron Microscopy, Lawrence Berkeley National Laboratory, BLDG 72-150, 1 Cyclotron Road, Berkeley, CA, 94706, USA. Fax: +1-510-486-4846 Phone: +1-510-486-4716 (office) Email address: CFKisielowski@lbl.gov
^†Present address: The Institute for Computational Engineering and Sciences, University of Texas, Austin, Texas 78712, USA.

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Vol. 95, Iss. 14 — 30 September 2005

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