Electrode doping

[Anh Khoa Augustin Lu]

Hello everyone,

When defining the doping in a device, I am a little bit confused about the electrode doping definition:
Should I define both the atomic compensation charge in the external potential AND the charge in the calculator, or should I define only one of the two in the electrode definition?

Thanks!

Augustin.

[Umberto Martinez]

Only define the first one, never mix the two methods.
see also http://quantumwise.com/publications/tutorials/item/820-ni-silicide-si-interfaces

[Anh Khoa Augustin Lu]

Many thanks for the prompt reply!

[Anders Blom]

The confusion is understandable, since we changed the behavior going from ATK 13.8 to 2014. In 13.8 you had to compensate the compensation charges, but from 2014 and onwards the "charge" is the net charge - the compensation charges are automatically compensated, so the charge is only used for a charged system, which seems natural.