New material functions and substitute materials
Design of new material functions and the search for and implementation of new substitute materials (hard magnets, transparent and conducting oxides, piezoelectrics and thermoelectrics)
Calculation of macroscopic (magnetic, electric, optical, mechanical) material functions from microscopic material data.
New material functions 3D computer simulation topics
Relationships between crystal structure, crystal composition and local magnetic moments, relationships between the dimensionality of crystal defects and electronic states in the band gaps of oxidic semiconductors, or the effects of crystal symmetries, of atomic defects and dopants, as well as of grain and phase boundaries on ferroelectric polarization.
New material functions and substitute materials methodology and modeling
First principles and semi-empirical electronic-structure calculation methods (density functional theory and tight binding theory), spin models and micro-magnetism for hard magnets, band structure and effective mass models for oxidic (semi-)conductors and for thermoelectrics as well as phase field theory and micromechanics for piezoelectrics.
Prof. Dr. Christian Elsässer
Phone +49 761 5142-286