Description:
<jats:p>We present ab initio modeling results including formation, migration, and activation energies for B diffusion through bulk and grain boundaries in polycrystalline HfO2 films. Modeling results clearly indicate that B can penetrate through a 40 Å HfO2 film via grain boundary diffusion, but not by bulk diffusion. Secondary ion mass spectroscopy analysis of B concentration profiles for polysilicon/HfO2/Si gate stacks after different anneals showed double B peaks at the interfaces and thus confirmed the modeling prediction.</jats:p>