We present ab-initio modeling results including formation, migration, and activation energies for B diffusion through bulk and grain boundaries in polycrystalline HfO_2 films. Modeling results clearly indicate that B can penetrate through a 40 A HfO_2 film via grain boundary diffusion, but not by bulk diffusion. SMS analysis of B concentration profiles for polysilicon/HfO_2/Si gate stacks after different anneals showed double B peaks at the interfaces and thus confirmed the modeling prediction.
展开▼
机译：我们提出了从头开始的建模结果，包括通过多晶HfO_2薄膜中的B和B扩散通过体和晶界的形成，迁移和活化能。建模结果清楚地表明，B可以通过晶界扩散而不是体扩散穿过40 A HfO_2薄膜。退火后，多晶硅/ HfO_2 / Si栅堆叠的B浓度曲线的SMS分析显示，界面处有两个B峰，因此证实了建模预测。
展开▼
