Convergence of the Bloch-waves method

TL;DR

This paper presents an improved algorithm for the Bloch waves method, enhancing convergence, timing, and accuracy in calculating electron scattering in crystals, with applications to magnetic signals and tilt series.

Contribution

Introduces a new, more efficient algorithm for the Bloch waves method, improving convergence and accuracy in electron scattering calculations.

Findings

Enhanced convergence properties demonstrated.

Faster computation times achieved.

Accurate mapping of magnetic signals and tilt series.

Abstract

We discuss in detail the Bloch waves method for calculation of energy and orientation dependent scattering cross-section for inelastic scattering of electrons on crystals. Convergence properties are investigated and a new algorithm with superior timing and accuracy is described. The new method is applied to calculations of intensity of weakly excited spots, maps of magnetic signal, and tilt series from zone axis orientation towards three-beam orientation.