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, D0, D−, and 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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