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Fast fitting of reflectivity data of growing thin films using neural networks.

Alessandro GrecoVladimir StarostinChristos KarapanagiotisAlexander HinderhoferAlexander GerlachLinus PithanSascha LiehrFrank SchreiberStefan Kowarik
Published in: Journal of applied crystallography (2019)
X-ray reflectivity (XRR) is a powerful and popular scattering technique that can give valuable insight into the growth behavior of thin films. This study shows how a simple artificial neural network model can be used to determine the thickness, roughness and density of thin films of different organic semiconductors [diindenoperylene, copper(II) phthalocyanine and α-sexithiophene] on silica from their XRR data with millisecond computation time and with minimal user input or a priori knowledge. For a large experimental data set of 372 XRR curves, it is shown that a simple fully connected model can provide good results with a mean absolute percentage error of 8-18% when compared with the results obtained by a genetic least mean squares fit using the classical Parratt formalism. Furthermore, current drawbacks and prospects for improvement are discussed.
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