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QuantumATK => General Questions and Answers => Topic started by: sukhito teh on September 12, 2023, 08:51

Title: Change fermi level in OpticalSpectrum
Post by: sukhito teh on September 12, 2023, 08:51

Dear developers and users,
May I know if there is a way to change the fermi level in calculation of optical conductivity? From what I understand, anomalous hall conductivity (AHC) can be calculated from optical conductivity at E=0. But with the default fermi energy, I can only calculate AHC at the fermi level. Thanks you for your time.

best regards,
Sukhito

Title: Re: Change fermi level in OpticalSpectrum
Post by: Anders Blom on September 13, 2023, 03:50

If you need a real physical shift of the Fermi level, this would have to be done with doping. This can either be done with actual dopants, which puts limits on how low concentration you can use, and you need to simulate a large supercell no matter what, or you can use implicit doping as we do in several examples; see
https://docs.quantumatk.com/tutorials/inas_p-i-n_junction/inas_p-i-n_junction.html#adding-p-type-and-n-type-doping-to-inas
https://docs.quantumatk.com/tutorials/nisi2-si/nisi2-si.html#dope-the-device
https://docs.quantumatk.com/manual/technicalnotes/doping_methods/doping_methods.html

Title: Re: Change fermi level in OpticalSpectrum
Post by: sukhito teh on September 14, 2023, 03:19

Thank you for your help