Scaling theory put into practice: first-principles modeling of transport in doped silicon nanowires

Details Scaling theory put into practice: first-principles modeling of transport in doped silicon nanowires Scaling theory put into practice: first-principles modeling of transport in doped silicon nanowires

2007-06-26

arxiv.org/abs/0706.3795v1

Physics

Condensed Matter

Mesoscale and Nanoscale Physics

Accepted for PRL

Scientific paper

10.1103/PhysRevLett.99.076803

We combine the ideas of scaling theory and universal conductance fluctuations with density-functional theory to analyze the conductance properties of doped silicon nanowires. Specifically, we study the cross-over from ballistic to diffusive transport in boron (B) or phosphorus (P) doped Si-nanowires by computing the mean free path, sample averaged conductance , and sample-to-sample variations std(G) as a function of energy, doping density, wire length, and the radial dopant profile. Our main findings are: (i) the main trends can be predicted quantitatively based on the scattering properties of single dopants; (ii) the sample-to-sample fluctuations depend on energy but not on doping density, thereby displaying a degree of universality, and (iii) in the diffusive regime the analytical predictions of the DMPK theory are in good agreement with our ab initio calculations.

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