Greco Alessandro, Starostin Vladimir, Karapanagiotis Christos, Hinderhofer Alexander, Gerlach Alexander, Pithan Linus, Liehr Sascha, Schreiber Frank, Kowarik Stefan
Institut für Angewandte Physik, University of Tübingen, Auf der Morgenstelle 10, Tübingen 72076, Germany.
Institut für Physik, Humboldt Universität zu Berlin, Newtonstrasse 15, Berlin 12489, Germany.
J Appl Crystallogr. 2019 Nov 8;52(Pt 6):1342-1347. doi: 10.1107/S1600576719013311. eCollection 2019 Dec 1.
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 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.
X射线反射率(XRR)是一种强大且常用的散射技术,能够为薄膜的生长行为提供有价值的见解。本研究展示了如何使用一个简单的人工神经网络模型,根据不同有机半导体(二茚并苝、铜(II)酞菁和α-六噻吩)在二氧化硅上的XRR数据,在毫秒级计算时间内且只需极少用户输入或知识的情况下,确定薄膜的厚度、粗糙度和密度。对于一个包含372条XRR曲线的大型实验数据集,结果表明,与使用经典帕拉特形式主义通过遗传最小二乘法拟合得到的结果相比,一个简单的全连接模型能够提供良好的结果,平均绝对百分比误差为8 - 18%。此外,还讨论了当前的缺点和改进前景。