Geometry dependent I-V characteristics of silicon nanowires

The current-voltage (I-V) characteristics of small-diameter hydrogenated and pristine silicon nanowires (SiNWs) are calculated by nonequilibrium Green's function combined with density functional theory. We show that the I-V characteristics depend strongly on length, growth orientation, and surface modification of the SiNWs. In particular, a length of 3 nm is suggested for the nanowires to retrieve its intrinsic conducting properties from the influences of both the electrodes and metal/semiconductor mismatched surface contact; surface reconstruction would enhance the conductance in hydrogenated SiNW, which is explained by the extra conducting eigenchannel found in the transmission spectrum, suggesting possible surface conducting channel. Discussions with available experimental data are given.