Alternative equation on magnetic pair distribution function for quantitative analysis

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.

Language	:	English
Journal	:	Journal of the Physical Society of Japan
Volume	:	86
Number	:	12
Pages	:	p.124708_1 - 124708_8
Publication Year/Month	:	2017/12
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Paper URL	:	https://doi.org/10.7566/JPSJ.86.124708
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Keywords	:	no keyword
Research Facility	:	J-PARC物質・生命科学実験施設
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Registration No. : AA20170477
JAEA Abstracts No. : 46000748
Paper Submission No. : 20326

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