Dipartimento di Fisica, Università di Trento, I-38123 Povo (Trento), Italy.
J Synchrotron Radiat. 2013 Jul;20(Pt 4):603-13. doi: 10.1107/S0909049513012053. Epub 2013 May 21.
The evaluation of uncertainty in temperature-dependent EXAFS measurements is discussed, considering the specific case of a recent experiment performed on CdTe. EXAFS at both Cd and Te K-edges was measured at different times and at different beamlines in a temperature range from 5 to 300 K. Attention is focused on the nearest-neighbours parameters: bond thermal expansion, parallel and perpendicular mean-square relative displacements and the third cumulant. Different causes of uncertainty, a comparison of experimental results with theoretical models, the difference between EXAFS and crystallographic thermal expansions and the meaning of the third cumulant are discussed.
本文讨论了温度相关 EXAFS 测量中不确定度的评估，考虑了 CdTe 近期实验的具体情况。在 5 至 300 K 的温度范围内，分别在不同时间和不同光束线上测量了 Cd 和 Te K 边的 EXAFS。重点关注最近邻参数：键热膨胀、平行和垂直均方根相对位移以及第三阶累积量。讨论了不同的不确定度来源、实验结果与理论模型的比较、EXAFS 和晶体热膨胀之间的差异以及第三阶累积量的意义。
