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B04: Ab initio theory for photonic materials

Abstract

This project focuses on parameter-free and accurate calculations of excited-state properties for real materials and nanostructures. Thereby not only electronic self-energy and electron-hole attraction effects are calculated, but also the effects of electron-phonon coupling are addressed. Furthermore, the influence of intrinsic and extrinsic defects typically occuring in real photonic materials, such as lithium niobate, will be considered. The goal is to calculate optical excitation spectra with true predictive power, thus allowing (i) for a meaningful comparison with experimental data, (ii) for the thorough understanding of the influence of materials parameters like structure, composition, strain, external fields or doping on the optical properties and ultimately (iii) for assisting in the design of materials for photonic devices within the Collaborative Research Center.

Research Staff
Prof. Dr. Arno Schindlmayr Principal investigator
Prof. Dr. Wolf Gero Schmidt Principal investigator
Michael Friedrich PhD
M. Sc. Rebecca Hölscher PhD