1 0 0 0 OA 粉末回折法を用いた新しい定量分析法の開発とパターソン関数
- 著者
- 虎谷 秀穂
- 出版者
- 日本結晶学会
- 雑誌
- 日本結晶学会誌 (ISSN:03694585)
- 巻号頁・発行日
- vol.60, no.2-3, pp.113-120, 2018-05-31 (Released:2018-06-02)
- 参考文献数
- 19
A new method, called the direct derivation(DD) method, for quantitative phase analysis(QPA) can derive weight fractions of individual crystalline phases from sets of observed intensities and chemical composition data. The Patterson function plays an important role in replacing the sum of squared structure factors, calculated in the Rietveld method, with the sum of squared numbers of electrons belonging to the atoms in the chemical formula unit. Therefore, the DD method can conduct QPA of Rietveld equivalent without referencing to structure parameters. It can be applied to QPA of mixtures containing known structure, unknown structure, and high and low crystalline materials.
1 0 0 0 OA 6.プロファイル関数とパターン分解法
- 著者
- 虎谷 秀穂
- 出版者
- 日本結晶学会
- 雑誌
- 日本結晶学会誌 (ISSN:03694585)
- 巻号頁・発行日
- vol.34, no.2, pp.86-99, 1992-04-25 (Released:2010-09-30)
- 参考文献数
- 46
- 被引用文献数
- 2
The first half of this chapter is devoted for describing: 1) a brief history of profile functions in both neutron and X-ray powder diffractions, 2) the relation between the Voigt and pseudo-Voigt functions and that between the pseudo-Voigt and Pearson VII functions, 3) the methods of asymmetrizing the symmetric profile function, and 4) the effect of profile-function truncation in powder pattern fitting. In the latter half of this chapter, the theory and application of the pattern decomposition method are described. Examples are pattern decompositions by using the individual profile fitting method and the Pawley method, The use of convolution function in pattern fitting derives the physically meaningful information from the profile shape. A sophisticated example of whole-powder-pattern fitting using a lattice-direction-dependent profile-width-model is given.