QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: Anh Khoa Augustin Lu on August 5, 2015, 13:19

Title: Electrode doping
Post by: Anh Khoa Augustin Lu on August 5, 2015, 13:19

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.

Title: Re: Electrode doping
Post by: Umberto Martinez on August 5, 2015, 15:35

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

Title: Re: Electrode doping
Post by: Anh Khoa Augustin Lu on August 5, 2015, 15:45

Many thanks for the prompt reply!

Title: Re: Electrode doping
Post by: Anders Blom on August 5, 2015, 22:53

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.