Grain boundary-driven leakage path formation in HfO2 dielectrics

The evolution over time of the leakage current in HfO2-based MIM capacitors under continuous or periodic constant voltage stress (CVS) was studied for a range of stress voltages and temperatures. The data were analyzed based on the results of conductive atomic force microscopy (AFM) measurements demonstrating preferential current flow along grain boundaries (GBs) in the HfO2 dielectric and ab initio calculations, which show the formation of a conductive sub-band due to the precipitation of oxygen vacancies at the GBs. The simulations using the statistical multi-phonon trap-assisted tunneling (TAT) current description successfully reproduced the experimental leakage current stress time dependency by using the calculated energy characteristics of the O-vacancies. The proposed model suggests that the observed reversible increase in the stress current is caused by segregation of the oxygen vacancies at the GBs and their conversion to the TAT-active charge state caused by reversible electron trapping during CVS.