Abstract
We describe a theoretical approach to transport and a potentially valuable scheme for screening gate dielectric materials. Realistic structural models of the Si-dielectric interface are employed for $\mathrm{Si}\ensuremath{-}{\mathrm{SiO}}_{2}\ensuremath{-}\mathrm{Si}$ model metal-oxide--semiconductor (MOS) structures. The leakage current for a 1.02-nm MOS structure is calculated from first principles using Landauer's ballistic transport approach and ab inito molecular-dynamic simulation. The calculated leakage currents agree with most recent experimental data.
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