ﻻ يوجد ملخص باللغة العربية
Herein we show that non-resonant inelastic x-ray scattering involving an $s$ core level is a powerful spectroscopic method to characterize the excited states of transition metal compounds. The spherical charge distribution of the $s$ core hole allows the orientational dependence of the intensities of the various spectral features to produce a spatial charge image of the associated multiplet states in a straightforward manner, thereby facilitating the identification of their orbital character. In addition, the $s$ core hole does not add an extra orbital angular momentum component to the multiplet structure so that the well-established Sugano-Tanabe-Kamimura diagrams can be used for the analysis of the spectra. For $alpha$-MnS we observe the spherical charge density corresponding to its high spin $3d^5$ ($^6A_1$) ground state configuration and we were able to selectively image its excited states and identify them as $t_{2g}$ ($^5T_2$) and $e_g$ ($^5E$) with an energy splitting $10Dq$ of 0.78,eV.
We demonstrate that angle-resolved soft x-ray spectroscopy can resolve absorption by inequivalent oxygen sites and by different orbitals belonging to the same site in NaV2O5. By rotating the polarization direction, we see a dramatic change in the abs
We extend our recently-developed heat-bath configuration interaction (HCI) algorithm, and our semistochastic algorithm for performing multireference perturbation theory, to the calculation of excited-state wavefunctions and energies. We employ time-r
Configuration-interaction-type calculations on electronic and vibrational structure are often the method of choice for the reliable approximation of many-particle wave functions and energies. The exponential scaling, however, limits their application
We report scanning transmission X-ray microscopy of mixed helical and skyrmion magnetic states in thin FeGe lamellae. This imaging of the out-of-plane magnetism allows clear identification of the different magnetic states, and reveals details about t
The relationship between charge and structure dictates the properties of electrochemical systems. For example, reversible Na-ion intercalation - a low-cost alternative to Li-ion technology - often induces detrimental structural phase transformations