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Published online by Cambridge University Press: 01 February 2011
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. SIMS 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.