Abstract

We derive an alternative equation of magnetic pair distribution function (mPDF) related to the mPDF equation given in a preceding study [B. A. Frandsen, X. Yang, and S. J. L. Billinge, Acta Crystallogr., Sect. A 70, 3 (2014)] for quantitative analysis of realistic experimental data. The additional term related to spontaneous magnetization included in the equation is particularly important for the mPDF analysis of ferromagnetic materials. Quantitative estimation of mPDF from neutron diffraction data is also shown. The experimental mPDFs estimated from the neutron diffraction data of the ferromagnet MnSb and the antiferromagnet MnF2 are quantitatively consistent with the mPDFs calculated using the presented equation.

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