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Monolayer Contact Doping of Silicon Surfaces and Nanowires Using Organophosphorus Compounds
Published on: December 2, 2013
Theory of one and two donors in silicon
A L Saraiva1, A Baena, M J Calderón
1Department of Physics, University of Wisconsin-Madison, Madison, WI 53706, USA. Instituto de Fisica, Universidade Federal do Rio de Janeiro, Caixa Postal 68528, 21941-972 Rio de Janeiro, Brazil.
Abstract:
We provide here a roadmap for modeling silicon nano-devices with one or two group V donors (D). We discuss systems containing one or two electrons, that is, D(0), D(-), D(+)(2) and D(0)(2) centers. The impact of different levels of approximation is discussed. The most accurate instances--for which we provide quantitative results--are within multivalley effective mass including the central cell correction and a configuration interaction account of the electron-electron correlations. We also derive insightful, yet less accurate, analytical approximations and discuss their validity and limitations--in particular, for a donor pair, we discuss the single orbital LCAO method, the Hückel approximation and the Hubbard model. Finally, we connect these results with recent experiments on devices with few dopants.
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