Alternative equation on magnetic pair distribution function for quantitative analysis

定量的な解析のための磁気対相関関数の代替方程式

樹神 克明   ; 池田 一貴*; 社本 真一  ; 大友 季哉*

Kodama, Katsuaki; Ikeda, Kazutaka*; Shamoto, Shinichi; Otomo, Toshiya*

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. A, , 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 MnF are quantitatively consistent with the mPDFs calculated using the presented equation.