We clarified the mechanism of oxygen (O-)-ion migration at a high-k/SiO2 interface, which is a possible origin of the flat-band voltage shift in metal/high-k gate stacks. The oxygen density difference accommodation model was reproduced by a molecular dynamics simulation of an Al2O3/SiO2 structure, in which O- ions migrate from the higher oxygen density side to the lower one. We determined that the driving force of the O--ion migration is the short-range repulsion between ionic cores. The repulsive force is greater in materials with a higher oxygen density, pushing O- ions to the lower oxygen density side.
ASJC Scopus subject areas