Resonant inelastic x-ray scattering ofMnO:L2,3edge measurements and assessment of their interpretation

Abstract

The resonant inelastic x-ray scattering ͑RIXS͒ of MnO measured with high energy resolution across the L 2,3 absorption edges of Mn is characterized by a very rich spectral structure due to the local electronic excitations. The spectra are dominated by dd and charge transfer excitations, both dipole allowed in the RIXS process. The spectra strongly depend on the energy and polarization of the incident photons. This vast experimental basis allows an accurate determination of the main parameters of theoretical models used to describe highly correlated electron systems like MnO. We show the results for the single impurity Anderson model and the single ion crystal field model and we compare them. Both models reproduce well the dd excitation spectrum, but the former can also predict satisfactorily the charge transfer excitations.

Effect of excess lithium in LiMn2O4 and Li1.15Mn1.85O4 electrodes revealed by quantitative analysis of soft X-ray absorption spectroscopy

“…Due to the difficulty of obtaining reliable Mn 2+ spectra, which is sensitive not only to the oxidation state but also to the different surface phases, 22 the spectrum of Mn 2+ was taken from our previous study, 14 which is consistent with the other work. 23 The fitting results (dotted lines in FIG 1(a) and FIG 2(a)) almost perfectly replicate the experimental data, validating this simple method of quantitative analysis. The fitted values of the Mn oxidation state concentrations are plotted in FIG 1(c) and FIG 2(c) for LiMn2O4 and Li1.15Mn1.85O4, respectively.…”

Ligand Energy Controls the Heme-Fe Valence in Aqueous Myoglobins

“…We attribute this difference to the fact that the XAS study used a ligand-field atomic multiplet calculation 25) while the present study includes additionally the ligand states in a cluster calculation. More importantly, the charge transfer energy Á is typically 4 -8 eV for transition metal compounds 11,22,26) [schematically shown in Fig. 3(b)], but is extremely small for the Mb derivatives.…”

“…Fe 2p emission. 10,11) The RXES final state is charge neutral, unlike x-ray absorption spectroscopy (XAS) or photoemission spectroscopy in which a positively charged core hole in the final state can modify the spectra. Consequently, RXES has the advantage of being element specific, site-and orbital-selective probe of charge neutral excitations.…”

Magnetic excitation spectrum of Na2IrO3probed with resonant inelastic x-ray scattering

“…As such, it can probe excitations between the d-levels, 16,[22][23][24][25][26][27] collective magnetic excitations 9,10,28,29 and even lattice vibrational modes.…”