Dear Nick, Thank you for your clarification. Best, Zara On Fri, Oct 6, 2017 at 12:39 PM, Nick Papior <nickpap...@gmail.com> wrote:
> The difference between the Hartree electrostatic potential VH(v) - VH(0) > is the potential induced by the applied bias. You may refer to this as the > potential profile or potential drop in the device region. > > For instance the potential profile shown in this article > www.doi.org/10.1039/c5cp04613k is calculated as you write it (disclaimer > I am author on the paper). > > Note that the default output of the potential is in Ry and thus needs > conversion to eV. If you do this you will find that the difference between > the left and right lead regions should amount to the applied bias. > > Whether it drops linearly or not, depends on the system. > > 2017-10-05 21:08 GMT+02:00 Zara Nosh <z.nr...@gmail.com>: > >> Dear all, >> >> If we consider for example pure GNR device, we expect that the Hartee >> electrostatic potential drops linearly through the device length. In the >> situation that we have some p-dope or n-dope impurity atoms the >> electrostatic potential evolution is not linearly anymore , however if we >> consider "the difference of electrostatic potential of finite bias with >> zero-bias", it will change linearly. >> >> it seems that charge transport behavior comes from the "VH(v)-VH(0)", so >> what is the physical >> meaning and importance of VH(v)? >> >> Best regards, >> Zara >> > > > > -- > Kind regards Nick >
