Scaling theory put into practice: first-principles modeling of transport in doped silicon nanowires.
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 crossover from ballistic to diffusive transport in boron or phosphorus doped Si nanowires by computing the mean free path, sample-averaged conductance G, 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 Dorokhov-Mello-Pereyra-Kumar theory are in good agreement with our ab initio calculations.
Markussen
Troels
T
MIC-Department of Micro- and Nanotechnology, NanoDTU, Technical University of Denmark, DK-2800 Kongens Lyngby, Denmark.
Rurali
Riccardo
R
Jauho
Antti-Pekka
AP
Brandbyge
Mads
M