Inversion of Many-Beam Bragg Intensities for Phasing by Iterated Projections: Removal of Multiple Scattering Artifacts from Diffraction Data

Jeffrey J. Donatelli and John C. H. Spence

Phys. Rev. Lett. 125, 065502 – Published 6 August 2020

Abstract

An iterated projection algorithm (N-Phaser) is developed that reconstructs a scattering potential from $N$ -beam multiple Bragg scattered intensities. The method may be used to eliminate multiple scattering artifacts from electron diffraction data, solving the phase problem and increasing the thicknesses of samples used in materials science, solid-state chemistry, and small molecule crystallography. For high-energy transmission electron diffraction, we show that the algorithm recovers accurate complex structure factors from a wide range of thicknesses, orientations, and relativistic beam energies, and does not require known thickness or atomic-resolution data if sufficient multiple scattering occurs. Extensions to Cryo-electron microscopy and Micro-electron diffraction are suggested.

Received 28 February 2020
Accepted 2 July 2020

DOI:https://doi.org/10.1103/PhysRevLett.125.065502

Physics Subject Headings (PhySH)

Materials Mathematical physics

Electron diffraction Neutron diffraction X-ray diffraction

Interdisciplinary Physics

Authors & Affiliations

Jeffrey J. Donatelli^1,2 and John C. H. Spence ³

¹Department of Applied Mathematics, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA
²Center for Advanced Mathematics for Energy Research Applications, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA
³Department of Physics, Arizona State University, Tempe, Arizona 85287-1504, USA