Dalba G, Fornasini P
J Synchrotron Radiat. 1997 Jul 1;4(Pt 4):243-55. doi: 10.1107/S0909049597006900.
The EXAFS Debye-Waller factor depends on the correlation of atomic motion and can yield original information on the vibrational dynamics of crystalline solids. In this paper an introductory treatment of thermal disorder in EXAFS, based on thc cumulant approach, is given. Thc general relation between mean-square relative displacement (MSRD) measured by EXAFS and atomic thermal vibrations in harmonic approximation is explored. Strengths and limitations of the phenomenological Einstein- and Debye-correlated models are discussed. Some of the most significant results so far obtained are reviewed. A relatively simple method for estimating anharmonic corrections to the MSRD is proposed.
扩展X射线吸收精细结构（EXAFS）的德拜-瓦勒因子取决于原子运动的相关性，并且能够提供关于晶体固体振动动力学的原始信息。本文基于累积量方法对EXAFS中的热无序进行了介绍性论述。探讨了通过EXAFS测量的均方相对位移（MSRD）与简谐近似下原子热振动之间的一般关系。讨论了唯象的爱因斯坦相关模型和德拜相关模型的优点与局限性。回顾了迄今为止所获得的一些最重要的结果。提出了一种相对简单的方法来估计对MSRD的非谐修正。
