Project B8 (N):

Theory and modelling of valence-change based resistive switching
(since 2015)

We aim at revealing the microscopic mechanisms behind resistive switching through density functional theory (DFT) and kinetic Monte Carlo (KMC) simulations in four steps:

  1. combine DFT calculations with a genetic algorithm to establish a structural model for the formed state at various oxygen-vacancy concentrations;
  2. study the diffusion barriers of vacancy complexes and interstitial cations in the electric field in the vicinity of an electrode;
  3. explore the structure of the oxide filament-electrode interfaces, including defects;
  4. enter this information into the simulation of switching processes in a resistive memory cell in which the transport of oxygen vacancies is simulated with the KMC method, whose development we are planning.

Principal investigators:

Prof. Dr. rer. nat. S. Blügel
Peter Grünberg Institut (PGI-1) and
Institute for Advanced Simulation (IAS-1)
Forschungszentrum Jülich GmbH
Phone: +49 (0)2461 61 4249

Prof. Dr.-Ing. Ch. Jungemann
Institut für Theoretische Elektrotechnik
RWTH Aachen University
Phone: +49 (0)241 80 23901

Jun.-Prof. Dr. rer. nat. M. Ležaić
Peter Grünberg Institut (PGI-1) and
Institute for Advanced Simulation (IAS-1)
Forschungszentrum Jülich GmbH
Phone: +49 (0)2461 61 5369

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