Core-level photoelectron line shapes for oxides contain significant information about the electronic and magnetic structure in these materials. When measured with high energy resolution, spectra for structurally well-defined materials have the potential to yield considerable insight into the relationships between crystallographic structure and electronic and magnetic properties. However, extracting these insights requires first-principles total energy calculations of the ground state, and simulations of the photoelectron excitation process. The experimental spectra reveal couplings between initial-state charge distributions, spin-orbit coupling, and final-state charge distributions (shake up) which defy conventional wisdom. In this talk, I will present spectra for several simple and complex oxides of bulk crystals and epitaxial films, and discuss the challenges associated with their interpretation.

Interactions between chemical shifts, multiplet splitting, and shake-up in core-level spectra for simple and complex oxides

244th National Meeting (2012)

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