A first-principles study of transport properties of a gallium arsenide nanoribbon-based molecular device

GaAs nanoribbon based molecular device is investigated using density functional theory. The electronic transport properties of GaAs nanoribbon are discussed in terms of density of states, electron density, transmission spectrum and transmission pathways. The applied bias voltage increases the peak maximum in the valence band and the conduction band. The electron density is found to be more on the arsenic sites than in gallium sites across GaAs nanoribbon. The transmission spectrum provides the insight to the transmission of electrons at different energy intervals across GaAs nanoribbon. The transmission pathways give the visualization of possible path for the electrons, when the bias voltage is varied between the electrodes. The transmission pathways get modified with the applied bias voltage. The result of the present study gives clearer vision of enhancing the electronic transport properties of GaAs nanoribbon which is used in optoelectronic devices.