The partition of two-probe system into left+scat+right rely on good
screening of electrodes. If silicon is used as electrode, you should
include huge number of layer into the scattering region. Actually, I
think transiesta is not the best choice for your problem.
best,
Yun-Peng
On 11/27/2011
Hi Peng, thanks for the answer.
Actually I'm using silicon for the electrodes, that may not that efficient
in screening like metals.
I've verified that I get different AVTRANS plots when I change the cell
side along z, or when I passivate the electrodes with hydrogens, or when I
use a periodic
In my opinion, the purpose of left+scat+right structure is to build a
starting charge density for transiesta run, especially charge density in
the scattering region. Due to good screening property of metals or other
conducting electrodes, the dangling bonds at ends of left+scat+right
structure
Hello,
I cannot figure out what's the correct way of setting up the scattering
region in the case of electrodes made by different materials. After I do
the calculation for the left and right electrodes, I build the system
with left+scat+right regions. The problem is that in defining the cell
