Abstract
SUePDF is a graphical user interface program written in MATLAB to achieve quantitative pair distribution functions (PDFs) from electron diffraction data. The program facilitates structural studies of amorphous materials and small nanoparticles using electron diffraction data from transmission electron microscopes. It is based on the physics of electron scattering as well as the total scattering methodology. A method of background modeling is introduced to treat the intensity tail of the direct beam, inelastic scattering and incoherent multiple scattering. Kinematical electron scattering intensity is scaled using the electron scattering factors. The PDFs obtained after Fourier transforms are normalized with respect to number density, nanoparticle form factor and the non-negativity of probability density. SUePDF is distributed as free software for academic users.
Highlights
The pair distribution function (PDF) method is widely employed for studying structurally disordered materials (Warren, 1990; Egami & Billinge, 2002; Proffen et al, 2003)
The reduced PDF GðrÞ is obtained by a Fourier transform of the reduced structure function FðQÞ 1⁄4 Q1⁄2SðQÞ À 1: ZQmax
The unfiltered GðrÞ obtained from equation (8) has to be adjusted by physical and mathematical constraints
Summary
The pair distribution function (PDF) method is widely employed for studying structurally disordered materials (Warren, 1990; Egami & Billinge, 2002; Proffen et al, 2003) This is because it gives more structural information, beyond the information given by the traditional Bragg-peak-based analysis, from scattering data. A number of efforts have been made to obtain PDFs from electron diffraction (ED) data (Cockayne & McKenzie, 1988; Tewes et al, 1994; Takagi et al, 2001; McBride, 2003; Ankele et al, 2005; Ishimaru et al, 2008; Abeykoon et al, 2012; Mu et al, 2013). The input data for SUePDF v1.0 is a one-dimensional electron total scattering intensity profile.
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