If your system is a semi-conductor (gapped nano-ribbon) then the fermi level of the electrodes and the device need not coincide. In such cases there is an intrinsic offset in the potential between the two calculations and the band-bending you see is introduced. This is what I *presume* is the cause of your calculation, but I could be wrong.
I.e. if your system is a gapped nano-ribbon, then it is not easy to perform such calculations in the current transiesta implementation. 2017-08-09 15:58 GMT+02:00 Zara Nosh <[email protected]>: > Dear transiesta users, > I am studying the transport properties of phosphorene nanoribbons, and I > have calculated the electrostatic potential vs the transport direction. > As my electrodes are same as scattering region, it is expected that the > electrostatic potential of the scattering region, at the zero bias, were > equal to the electrodes potential. > But in my calculation the electrostatic potential of the electrodes are > same but they are about 0.1eV higher that the scattering region ( something > like this: \___/ ). > Please look at the attached picture. > Would anyone please explain the reason > of this behavior > ? > > > Bests, > Zara > > > -- Kind regards Nick
