The interaction between matter and radiation (including electrons, light, X-rays, lasers, and other modern photon sources) is the key to the study of a vast array of materials, ranging from solids and surfaces to atomic and nanoscale systems. Theoretical spectroscopy is the powerful combination of quantum-based theories and computer simulation applied to electronic excitations. By employing a wide range of theoretical and computational methods, ETSF researchers can study electrons inside such materials and explain their interaction with external fields and light.
Through theoretical spectroscopy it is possible to:
- Analyse and explain experimental data (ellipsometry, EELS, Raman, IR, NMR, X-Ray, ARPES, STS, I/V transport, etc.)
- Achieve remarkable technological and fundamental breakthroughs, such as new functionality (optoelectronics) or biological applications
As an illustration of the potential of theoretical spectroscopy, ETSF researchers have written a series of articles describing applications to a variety of technologically relevant materials, including biomolecules, organic semiconductors, phase-change materials and silicon nanostructures. The collection is published in Comptes Rendus Physique (Volume 10, Issue 6, July-August 2009, Pages 465-586).