Charge transfer excitations in VUV and soft X-ray resonant scattering spectroscopies

Edwin Augustin, Haowei He, Lin Miao, Yi De Chuang, Zahid Hussain, L. Andrew Wray

    Research output: Contribution to journalArticlepeer-review

    Abstract

    The utility of resonant scattering for identifying electronic symmetries and density distributions changes dramatically as a function of photon energy. In the hard X-ray regime, strong core hole monopole potentials tend to produce X-ray absorption features with well-defined electron number on the scattering site. By contrast, in the vacuum ultraviolet (VUV), resonant scattering from Mott insulators tends to reveal spectra that are characteristic of only the nominal valence, and are insensitive to deviations from nominal valence brought on by metal-ligand hybridization. Here, atomic multiplet simulations are used to investigate the interplay of monopolar and multipolar Coulomb interactions in the VUV and soft X-ray regimes, to identify how charge transfer thresholds and other signatures of mixed valence can manifest in this low photon energy regime. The study focuses on the Mott insulator NiO as a well-characterized model system, and extrapolates interactions into non-physical regimes to identify principles that shape the spectral features.

    Original languageEnglish (US)
    Pages (from-to)121-124
    Number of pages4
    JournalJournal of Electron Spectroscopy and Related Phenomena
    Volume220
    DOIs
    StatePublished - Oct 2017

    Keywords

    • Charge transfer
    • NiO
    • Resonant inelastic X-ray scattering
    • Vacuum ultraviolet
    • X-ray absorption

    ASJC Scopus subject areas

    • Electronic, Optical and Magnetic Materials
    • Radiation
    • Atomic and Molecular Physics, and Optics
    • Condensed Matter Physics
    • Spectroscopy
    • Physical and Theoretical Chemistry

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