First principles study of the electronic and optical properties of GaAs nanoparticles under the influence of external uniform electric field

Abstract

We present electronic and optical properties of the hydrogen terminated gallium arsenide nanoparticles using time dependent density functional theory (TD-DFT). The electronic and optical properties of the GaAs nanoparticles were calculated at presence of the uniform external electric field in the range from 0 to 0.51 V/Å. The induced electric filed can decrease the HOMO–LUMO gap of the nanoparticles and the mount of these reductions increases with gain of the electric field strength.