Efficient $n$-type doping of zinc-blende III-V semiconductor nanowires

We demonstrate that it is preferable to dope III-V semiconductor nanowires by $n$-type anion substitution as opposed to cation substitution. Specifically, we show the dopability of zinc-blende nanowires is more efficient when the dopants are placed at the anion site as quantified by formation energies and the stabilization of \textit{DX}-like defect centers. The comparison with previous work on $n-$type III-V semiconductor nanocrystals also allows to determine the role of dimensionality and quantum confinement on doping characteristics of materials. Our results are based on first-principles calculations of InP nanowires by using the PARSEC code.