Higley Daniel J, Ogasawara Hirohito, Zohar Sioan, Dakovski Georgi L
SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, CA 94025, USA.
J Synchrotron Radiat. 2022 Jan 1;29(Pt 1):202-213. doi: 10.1107/S1600577521011917.
Resonant inelastic X-ray scattering (RIXS) has become an important scientific tool. Nonetheless, conventional high-resolution (few hundred meV or less) RIXS measurements, especially in the soft X-ray range, require low-throughput grating spectrometers, which limits measurement accuracy. Here, the performance of a different method for measuring RIXS, i.e. photoelectron spectrometry for analysis of X-rays (PAX), is computationally investigated. This method transforms the X-ray measurement problem of RIXS to an electron measurement problem, enabling use of high-throughput, compact electron spectrometers. X-rays to be measured are incident on a converter material and the energy distribution of the resultant photoelectrons, the PAX spectrum, is measured with an electron spectrometer. A deconvolution algorithm for analysis of such PAX data is proposed. It is shown that the deconvolution algorithm works well on data recorded with ∼0.5 eV resolution. Additional simulations show the potential of PAX for estimation of RIXS features with smaller widths. For simulations using the 3d levels of Ag as a converter material, and with 10 simulated detected electrons, it is estimated that features with a few hundred meV width can be accurately estimated in a model RIXS spectrum. For simulations using a sharp Fermi edge to encode RIXS spectra, it is estimated that one can accurately distinguish 100 meV FWHM peaks separated by 45 meV with 10 simulated detected electrons that were photoemitted from within 0.4 eV of the Fermi level.
共振非弹性X射线散射(RIXS)已成为一种重要的科学工具。尽管如此,传统的高分辨率(几百毫电子伏特或更低)RIXS测量,特别是在软X射线范围内,需要低通量的光栅光谱仪,这限制了测量精度。在此,对一种不同的RIXS测量方法,即用于X射线分析的光电子能谱法(PAX)的性能进行了计算研究。该方法将RIXS的X射线测量问题转化为电子测量问题,从而能够使用高通量、紧凑的电子能谱仪。待测X射线入射到转换材料上,并用电子能谱仪测量产生的光电子的能量分布,即PAX光谱。提出了一种用于分析此类PAX数据的去卷积算法。结果表明,该去卷积算法对分辨率约为0.5 eV记录的数据效果良好。额外的模拟显示了PAX在估计宽度更小的RIXS特征方面的潜力。对于使用Ag的3d能级作为转换材料的模拟,以及10个模拟检测到的电子,估计在模型RIXS光谱中可以准确估计几百毫电子伏特宽度的特征。对于使用尖锐费米边对RIXS光谱进行编码的模拟,估计使用从费米能级0.4 eV范围内光发射的10个模拟检测到的电子,可以准确区分相隔45 meV的100 meV半高宽峰。