Using photoelectron spectroscopy to measure resonant inelastic X-ray scattering: a computational investigation

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 105 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 105 simulated detected electrons that were photoemitted from within 0.4 eV of the Fermi level.

Correlation between Optical Localization-State and Electrical Deep-Level State in In0.52Al0.48As/In0.53Ga0.47As Quantum Well Structure

The peculiar correlationship between the optical localization-state and the electrical deep-level defect-state was observed in the In0.52Al0.48As/In0.53Ga0.47As quantum well structure that comprises two quantum-confined electron-states and two hole-subbands. The sample clearly exhibited the Fermi edge singularity (FES) peak in its photoluminescence spectrum at 10–300 K; and the FES peak was analyzed in terms of the phenomenological line shape model with key physical parameters such as the Fermi energy, the hole localization energy, and the band-to-band transition amplitude. Through the comprehensive studies on both the theoretical calculation and the experimental evaluation of the energy band profile, we found out that the localized state, which is separated above by ~0.07 eV from the first excited hole-subband, corresponds to the deep-level state, residing at the position of ~0.75 eV far below the conduction band (i.e., near the valence band edge).

Photoelectron spectra of alkali metal–ammonia microjets: From blue electrolyte to bronze metal

Experimental studies of the electronic structure of excess electrons in liquids—archetypal quantum solutes—have been largely restricted to very dilute electron concentrations. We overcame this limitation by applying soft x-ray photoelectron spectroscopy to characterize excess electrons originating from steadily increasing amounts of alkali metals dissolved in refrigerated liquid ammonia microjets. As concentration rises, a narrow peak at ~2 electron volts, corresponding to vertical photodetachment of localized solvated electrons and dielectrons, transforms continuously into a band with a sharp Fermi edge accompanied by a plasmon peak, characteristic of delocalized metallic electrons. Through our experimental approach combined with ab initio calculations of localized electrons and dielectrons, we obtain a clear picture of the energetics and density of states of the ammoniated electrons over the gradual transition from dilute blue electrolytes to concentrated bronze metallic solutions.