Density functional theory and density functional tight-binding are applied to
model electron transport in copper nanowires of approximately 1 nm and 3 nm
diameters with varying crystal orientation and surface termination. The copper
nanowires studied are found to be metallic irrespective of diameter, crystal
orientation and/or surface termination. Electron transmission is highly
dependent on crystal orientation and surface termination. Nanowires oriented
along the [110] crystallographic axis consistently exhibit the highest electron
transmission while surface oxidized nanowires show significantly reduced
electron transmission compared to unterminated nanowires. Transmission per unit
area is calculated in each case, for a given crystal orientation we find that
this value decreases with diameter for unterminated nanowires but is largely
unaffected by diameter in surface oxidized nanowires for the size regime
considered. Transmission pathway plots show that transmission is larger at the
surface of unterminated nanowires than inside the nanowire and that
transmission at the nanowire surface is significantly reduced by surface
oxidation. Finally, we present a simple model which explains the transport per
unit area dependence on diameter based on transmission pathways results