Dear Nick Thanks for you answer. Best regards, Zara
On Sun, Aug 13, 2017 at 11:41 PM, Nick Papior <[email protected]> wrote: > 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 >
