Photoelectron spectroscopy (PES) is widely used to study the electronic structures and chemical compositions of materials. Applications to liquids and gases - whilst less ubiquitous - are also well established. Facilities for PES are available at universities, private laboratories, and specialized research facilities like synchrotrons and free electron lasers around the world. However, the analysis of spectra can be challenging - for example, in core level XPS, difficulties with peak assignment are commonly encountered. Computational methods based on approximate quantum mechanical models can be extremely valuable for guiding the interpretation of experimental data. Still, their application can be tricky, in part because the worlds of theory and experiment tend to have their own separate languages, customs, and conventions, as well as distinct sets of capabilities and blind spots.
In this summer school, "PES with a spectrometer" and "PES on a computer" are treated on a roughly equal basis, and fundamentals and best practices are introduced from both perspectives. It is the belief of the organizers that theory and experiment are most effective when used together, and combining the two is often the best strategy for tackling practical problems in physics, chemistry, and materials science.
Subjects:
- Fundamentals of XPS and UPS
- Instrumentation - electron energy analyzers, photon sources (lab-based and synchrotron)
- Analysis of photoelectron spectra: peaks and backgrounds, cross-sections, energy referencing
- Calculation of photoelectron spectra from first principles: core and valence levels
- Hard X-ray photoemission
- Photodynamics
- Satellite structures
Experimental methods:
- X-ray Photoelectron Spectroscopy and Ultraviolet Photoelectron Spectroscopy
- Photoelectron spectroscopy of solids, liquids, and gases
- Auger Electron Spectroscopy
- Mass Spectrometry
- X-ray Absorption and X-ray Emission Spectroscopy
- Multiparticle coincidence techniques
Theoretical / Computational methods:
- Density Functional Theory (ground state, geometry optimization, surface species)
- Δ-Self-Consistent-Field calculations
- Many-body perturbation theory (GW, GW+cumulant)
