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B04: Ab initio theory for photonic materials


In this project, we develop computational methods and perform calculations that aim at the parame-ter-free modeling of the photonic materials studied in the CRC with predictive accuracy. Particular attention is paid to the nonlinear optical response. The influence of electronic many-body effects, electron-phonon coupling and spin-orbit coupling is explored for real materials characterized by intrinsic defects, dopants, interfaces and domain boundaries. Our goals are (i) to thoroughly under-stand the influence of material parameters like structure, composition, strain, doping or external fields, (ii) to interpret and rationalize the experimental data and ultimately (iii) to assist in the design of materials for photonic devices within the CRC.

Research Staff
Prof. Dr. Arno Schindlmayr Principal Investigator UPB
Prof. Dr. Wolf Gero Schmidt Principal Investigator UPB
Dr. Uwe Gerstmann Principal Investigator UPB
Dr. Agnieszka Kozub Postdoc UPB
M. Sc. Sergej Neufeld Doctoral Researcher UPB
M. Sc. Falko Schmidt Doctoral Researcher UPB