Transport in Silicon Nanowires: Role of Radial Dopant Profile
  We consider the electronic transport properties of phosphorus (P) doped silicon nanowires (SiNWs). By combining ab initio density functional theory (DFT) calculations with a recursive Green's function method, we calculate the conductance distribution of up to 200 nm long SiNWs with different distributions of P dopant impurities. We find that the radial distribution of the dopants influences the conductance properties significantly: Surface doped wires have longer mean-free paths and smaller sample-to-sample fluctuations in the cross-over from ballistic to diffusive transport. These findings can be quantitatively predicted in terms of the scattering properties of the single dopant atoms, implying that relatively simple calculations are sufficient in practical device modeling 
Troels Markussen, Riccardo Rurali, Antti-Pekka Jauho, Mads Brandbyge