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In nanoscale silicon CMOS, the contact resistance could considerable lower the on-current and significantly increase the delay. Most models of metal-semiconductor and silicide-silicon contacts remain over-simplified and phenomenological. In this study, ab initio simulations based on the density-functional theory (DFT) and quantum transport simulations based on the non-equilibrium Green's function...
The CoSi2/Si and NiSi2/Si interfaces are examined by using the first principles calculation. metal-induced gap states (MIGS) exist at the interface, and the magnitude is large enough to pin the Fermi level. The MIGS decay exponentially with interface distance and penetrate about 6 ?? into the Si layers. Schottky barrier height (SBH) for electrons can be increased by a B atom at substitutional site...
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