SAMOP 2023 – scientific programme

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MO: Fachverband Molekülphysik

MO 16: Atomic Clusters (joint session A/MO)

MO 16.1: Invited Talk

Thursday, March 9, 2023, 11:00–11:30, F107

Efficient and accurate simulation of wide-angle single-shot scattering — •Paul Tuemmler, Björn Kruse, Christian Peltz, and Thomas Fennel — Institute for Physics, University of Rostock, Albert-Einstein-Str. 23-24, D-18059 Rostock, Germany

In recent years coherent diffractive imaging has been established as a powerful method for the structural investigation of unsupported nanoparticles. A large number of studies have been successfully performed in the small angle regime, where the recorded scattering image is directly connected to the target's density projection along the optical axis. An established technique to invert the scattering image is the well-known phase retrieval algorithm. Single-shot 3d information only becomes available when scattering signal can be recorded at wide scattering angles, which typically requires wavelengths of several object diameters. However, in this scattering regime a direct inversion via phase retrieval is no longer possible and iterative forward fitting schemes have to applied. These schemes require many iterations and therefore heavily rely on an efficient method to calculate scattering images. Unfortunately, optical parameters in the long wavelength regime are typically quite far from vacuum parameters, such that absorption and multiple scattering effects become important. So far, available methods either lack the necessary accuracy (e.g. MSFT methods) or the numerical efficiency (e.g. FDTD).

Here we present a rigorous split step method that retains the efficiency of multislice methods, while yielding accuracy comparable to Mie and FDTD methods.