Single molecular field-effect transistor

[manhtien1502]

Hi everyone!
I try to draw the single molecular (DTB molecule) field-effect transistor but I don't know wheather it is correct with the definition of dielectric layer and gate.
Can you check for me?
Thank you!

[Jess Wellendorff]

You need the gate and the dielectric to be located inside the device supercell. Otherwise they cannot be part of the calculation. You might have a look at http://quantumwise.com/documents/tutorials/latest/InAsDevice/index.html/chap.nanowiredevice.html for inspiration.

Setting up metallic gate(s) and dielectric region(s) is a rather critical part of setting up the device configuration, because it determines what sort of nanoscale device you want to simulate: Should the gate/dielectric extend all the way from left to right electrode or not? What should the dielectric constant and gate potential be? etc.