QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: jai on December 17, 2012, 11:47

Title: electron-electron interaction in doped graphene
Post by: jai on December 17, 2012, 11:47

Hell everyone,

How to investigate electron-electron interactions in Pd doped graphene sheet?

Title: Re: electron-electron interaction in doped graphene
Post by: zh on December 18, 2012, 00:38

In the DFT calculation, the electron-electron interaction is already included.

Title: Re: electron-electron interaction in doped graphene
Post by: ramkrishna on December 20, 2012, 10:07

Dear Sir,
        Is it only included in DFT ?? in case of the tight binding type methods (slater koster, Huckel), is it not provided??

regards
Ramkrishna

Title: Re: electron-electron interaction in doped graphene
Post by: zh on December 21, 2012, 11:58

Please read the background of the ATK-SE in the manual: http://quantumwise.com/documents/manuals/latest/ReferenceManual/index.html/chap.atkse.html.

One of the important components of electron-electron interaction is the Hartree potential. The electron-electron interaction is not included in the non-self-consistent tight-binding model, however, it is included in the self-consistent tight-binding model.