Roy Mervyn, Gurman S J
Department of Physics and Astronomy, University of Leicester, University Road, Leicester, England.
J Synchrotron Radiat. 2003 Mar 1;10(Pt 2):120-4. doi: 10.1107/s0909049502021155. Epub 2003 Feb 27.
The probability of secondary electron shake-off in X-ray absorption is calculated using a model form for the time- and energy-dependent core-hole-photoelectron potential, screened by the single plasmon pole dielectric function of the surrounding material. The resultant excitation probabilities are related to the energy-dependent intrinsic loss function in EXAFS data analysis and compared with experiment. Reasonable agreement is obtained close to the absorption edge although the calculation is less accurate at higher photon energies. The theory described allows the losses to be calculated with little computational effort, making the method suitable for routine EXAFS data analysis.
利用一种与时间和能量相关的芯孔光电子势的模型形式来计算X射线吸收中二次电子摇逸的概率,该势由周围材料的单等离子体极介电函数屏蔽。所得的激发概率与EXAFS数据分析中与能量相关的本征损失函数相关,并与实验进行比较。尽管在较高光子能量下计算不太准确,但在吸收边附近获得了合理的一致性。所描述的理论允许以很少的计算量来计算损失,使得该方法适用于常规的EXAFS数据分析。