First-principles Study of Electron Transport through Atomistic Metal-Oxide-Semiconductor Structures

	Nanotech 2002 Vol. 2 Technical Proceedings of the 2002 International Conference on Computational Nanoscience and Nanotechnology Chapter 12: Molecular and Nanoelectronics
	First-principles Study of Electron Transport through Atomistic Metal-Oxide-Semiconductor Structures
Authors:	X. Zhang, L.R.C. Fonseca and A.A. Demkov
Affilation:	Motorola Inc., US
Pages:	322 - 325
Keywords:	electron transport, scattering theory, density functional, aluminum, device physics, CMOS leakage
Abstract:	We describe a theoretical scheme to combine first-principles molecular dynamics simulation and non-perturbative scattering theory for transport calculations. We compare our approach with published results for electron transport through a single Al atom. The method is then applied to the Si/SiO2/Si MOS structure, where we analyze the correspondence between the localized defect states and the leakage current. For a 1.04 nm thick MOS structure we calculate a leakage current of 33 A/cm2, in excellent agreement with a measured value of 19 A/cm2.
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ISBN:	0-9708275-6-3
Pages:	504
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