To perform the transport properties calculation of ultrathin AuNW, we use a total of 17 Au atoms, out of which 4 atoms on either side are considered as electrodes and the remaining atoms in between have been chosen as scattering region or device region (FIG. ). The size of the electrodes has been chosen to be the same in the left and right regions, eliminating current quantization effects due to contact electrodes. While designing the system for transport properties calculation, it is considered that the first electrodes size large enough to guarantee that orbitals within the unit cell only interact with one single nearest neighbor and the scattering region large enough to avoid interaction between the left electrode and right electrode to avoid the non-physical results. Electronic transmission function and the current flowing along the wire at constant bias conditions is calculated with the help of post-processing tool TBTrans of TranSIESTA. reverses bias. First, the current increases linearly with small fluctuation. Further, at a bias Voltage of 3.4 V, the value of current saturates and constant current is observed. Similarly, the current-voltage relation is reported for the Aluminum chain in reference .