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使用FEFF和FEFFIT进行扩展X射线吸收精细结构分析。

EXAFS analysis using FEFF and FEFFIT.

作者信息

Newville M

机构信息

Consortium for Advanced Radiation Sources, The University of Chicago, IL 60637, USA.

出版信息

J Synchrotron Radiat. 2001 Mar 1;8(Pt 2):96-100. doi: 10.1107/s0909049500016290.

Abstract

Some of the advanced EXAFS analysis features of FEFF and FEFFIT are described. The scattering path formalism from FEFF and cumulant expansion are used as the basic building blocks of EXAFS analysis, giving a flexible and robust parameterization of most EXAFS problems. The ability to model EXAFS data in terms of generalized physical variables is shown, including the simultaneous refinement of two different polarizations for Co K EXAFS data of CoPt3.

摘要

描述了FEFF和FEFFIT的一些先进的扩展X射线吸收精细结构(EXAFS)分析功能。FEFF的散射路径形式和累积量展开被用作EXAFS分析的基本构建模块,为大多数EXAFS问题提供了灵活且稳健的参数化方法。展示了根据广义物理变量对EXAFS数据进行建模的能力,包括对CoPt3的Co K EXAFS数据同时精修两种不同的极化。

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