Electronic Structure of Strongly Correlated Materials
Systems with strong electronic correlations are one of the most fascinating problems in modern solid state physics. Strongly correlated materials exhibit a variety of intriguing properties and phenomena that are very sensitive to a change of a control parameter (e.g. magnetization, temperature, pressure). Our goal is to achieve progress in the development of theoretical methods to describe such systems and to find new ways to study novel materials using cutting-edge X-ray Free Electron Laser (XFEL) experimental techniques. The spectral and magnetic properties of materials with strong electronic correlations, e.g. transition metal oxides, are investigated by means of DFT+DMFT and material-specific many-body models. Descriptions of insulator-to-metal transitions induced by change of external control parameters (temperature, pressure, strong electromagnetic fields), spin state transitions, and orbital ordering phenomena in transition metal oxides, as well as simulation and analysis of X-ray absorption spectra are the main objectives of this research project.