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QuantumATK => General Questions and Answers => Topic started by: sweta on January 29, 2013, 07:51

Title: doping through charged electrodes
Post by: sweta on January 29, 2013, 07:51

Hi Quantumwise team,

how doping can be done in Au electrodes through charged electrodes using ATK 12.2.1.
What charge value I should take? For ex: charge=0.03 or-0.03 what does it mean?

Title: Re: doping through charged electrodes
Post by: Anders Blom on January 29, 2013, 09:18

It means 0.03 more or less electrons inside the electrode unit cell. Negative values = more electrons.

Title: Re: doping through charged electrodes
Post by: sweta on January 29, 2013, 10:09

Thanks. To add one extra electron i,e n-doping whether i should take charge=-1 or 0.01?
Is this value for per electrode per unit cell?

Title: Re: doping through charged electrodes
Post by: kstokbro on January 29, 2013, 10:17

To add one extra electron in the unit cell use
charge = -1

Title: Re: doping through charged electrodes
Post by: Anders Blom on January 29, 2013, 10:56

Do note however that a whole electron is usually too much, it will correspond to a doping level of 1e22/cm3 or something. Also in this case you might as well insert an actual dopant, P or B in Si for instance. So the more common use for the charge keyword is to enable a lower doping concentration without increasing the unit cell size dramatically.

Title: Re: doping through charged electrodes
Post by: Chinha on April 21, 2013, 02:18

Hello Everyone,
I want to dope electrodes as p and n types. Built in voltage is 0.5 at zero bias. So how to do this in atk? Please help.
Thanking You.

Title: Re: doping through charged electrodes
Post by: Anders Blom on March 15, 2014, 20:10

See http://quantumwise.com/forum/index.php?topic=2613 for an example on this feature which was introduced in ATK 13.8