Diffuse X‐ray scattering from polished silicon: application of the distorted wave Born approximation

• Published in: Journal of synchrotron radiation Vol. 29; no. 2; pp. 447 - 455
• Main Authors: Macrander, Albert, Assoufid, Lahsen, Narayanan, Suresh, Khachatryan, Ruben
• Format: Journal Article
• Language: English
• Published: 5 Abbey Square, Chester, Cheshire CH1 2HU, England International Union of Crystallography 01.03.2022; John Wiley & Sons, Inc; International Union of Crystallography (IUCr)
• Subjects: Approximation; Atomic force microscopy; Born approximation; computational modeling; Correlation; diffuse X-ray scattering; Fourier transforms; Mathematical analysis; NUCLEAR PHYSICS AND RADIATION PHYSICS; Parameters; power spectra; Power spectral density; Research Papers; Scattering; Silicon; surface roughness; diffuse X-ray scattering; computational modeling; surface roughness; power spectra
• ISSN: 1600-5775; 0909-0495; 1600-5775
• DOI: 10.1107/S1600577522000534

Measured diffuse X‐ray scattering data for a `smooth' as well as for a `rough' silicon sample were fit to theoretical expressions within the distorted wave Born approximation (DWBA). Data for the power spectral density (PSD) for both samples were also obtained by means of atomic force microscopy and optical interferometry. The Fourier transforms of trial correlation functions were fit to the PSD data and then applied to the DWBA formalism. The net correlation functions needed to fit the PSD data for each sample comprised the sum of two terms with different cutoff lengths and different self‐affine fractal exponents. At zero distance these correlation functions added up to yield net values of σ2 = (2)2 and (71)2 Å2 for the smooth and rough samples, respectively. X‐ray scattering data were obtained at beamline 1‐BM of the Advanced Photon Source. Data and fits at values of qz = 0.05 and 0.10 Å−1 for the smooth sample are reported. Good fits for the smooth sample were obtained at both qz values simultaneously, that is, identical fitting parameters were applied at both values of qz. The smooth sample also exhibited weak Yoneda wings and a clear distinction between the strong specular scattering and the weak diffuse scattering. Data for the rough sample were qualitatively different and exhibited very weak scattering at the specular condition in contrast to extremely large Yoneda wings. Fits for the rough sample are reported for qz = 0.04, 0.05, and 0.06 Å−1. Although the large Yoneda wings could be fit quite well in both position and amplitude, scattering near the specular condition could not be equally well fit by applying the same fitting parameters at all values of qz. Albeit imperfect, best‐fitting results at the specular condition were obtained by invoking only diffuse scattering, that is, without including a separate theoretical expression for specular scattering. Measurements of diffuse X‐ray scattering from polished silicon were fit. The fits employed autocorrelation functions obtained from direct metrology of the surface roughness.