1. Analysis of Resonant Soft X-ray Reflectivity of Anisotropic Layered Materials
- Author
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Angelo Giglia, Raffaella Capelli, Matteo Bonfatti, Lorenzo Sponza, Emanuele Galligani, Adriano Verna, Luca Pasquali, Nicola Mahne, Stefano Nannarone, Francesco Mezzadri, Università degli Studi di Modena e Reggio Emilia (UNIMORE), CNR Istituto Officina dei Materiali (IOM), Consiglio Nazionale delle Ricerche [Roma] (CNR), University of Johannesburg (UJ), Università degli Studi Roma Tre, LEM, UMR 104, CNRS-ONERA, Université Paris-Saclay (Laboratoire d'étude des microstructures), ONERA-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), Pasquali, L, Mahne, N, Giglia, A, Verna, A, Sponza, L, Capelli, R, Bonfatti, M, Mezzadri, F, Galligani, E, and Nannarone, S
- Subjects
[PHYS]Physics [physics] ,Materials science ,Condensed matter physics ,Physics ,QC1-999 ,organic thin films ,Electronic structure ,010502 geochemistry & geophysics ,01 natural sciences ,Reflectivity ,anisotropic optical propertie ,soft X-ray reflectivity ,[SPI]Engineering Sciences [physics] ,Orientation (geometry) ,0103 physical sciences ,anisotropic optical properties ,[CHIM]Chemical Sciences ,Molecule ,Specular reflection ,Thin film ,010306 general physics ,Absorption (electromagnetic radiation) ,Anisotropy ,0105 earth and related environmental sciences - Abstract
We present here a method for the quantitative prediction of the spectroscopic specular reflectivity line-shape in anisotropic layered media. The method is based on a 4 ×, 4 matrix formalism and on the simulation from the first principles (through density functional theory&mdash, DFT) of the anisotropic absorption cross-section. The approach was used to simulate the reflectivity at the oxygen K-edge of a 3,4,9,10-perylene-tetracarboxylic dianhydride (PTCDA) thin film on Au(111). The effect of film thickness, orientation of the molecules, and grazing incidence angle were considered. The simulation results were compared to the experiment, permitting us to derive information on the film geometry, thickness, and morphology, as well as the electronic structure.
- Published
- 2021
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