Division C – Modelling

Subproject C1
Quantum mechanical computer simulations for electron and defect structure of oxides
Prof. Dr. K. Albe (Div. Material Modelling)

Subproject C2
Atomistic computer simulations of defects and their mobility in metal oxides
Prof. Dr. K. Albe (Div. Material Modelling)

Subproject C3 (finished 2010)
Microscopic investigations into defect agglomeration and its effect on the mobility of domain walls
Prof. Dr. W. Becker (Div. Material Modelling)
Prof. Dr. R. Müller (Fac. Civil Engineering and Geodesy)

Subproject C5
Phenomenological modelling of injection, transport and recombination in organic semiconducting devices as well as in inorganic ferroelectric materials
Dr. Y. Genenko (Div. Theory of Material Development)
Prof. Dr. H. v. Seggern (Div. Electronic Mataterial Properties)

Subproject C6
Micromechanical Simulation on Interaction of Point Defects with Domain Structure in Ferroelectrics
J. Prof. B. Xu (Div. Mechanics of Functional Materials )