Dear Yambo Developers,
I am running GW+BSE calculations and obtaining dielectric functions. However, when I look at the absorbance, I see that the optical band gap (1 eV) is smaller than the electronic band gap (2 eV). How is this possible?
Best,
Electronic band gap vs optical band gap
Moderators: myrta gruning, andrea marini, Daniele Varsano, Conor Hogan
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Electronic band gap vs optical band gap
Burak Ozdemir
Post-doc,
University of Modena and Reggio Emilia, Italy
Post-doc,
University of Modena and Reggio Emilia, Italy
- Daniele Varsano
- Posts: 4198
- Joined: Tue Mar 17, 2009 2:23 pm
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Re: Electronic band gap vs optical band gap
Dear Burak,
this is always the case when you are in the presence of bound excitons. The difference between the electronic bandgap and the optical gap is indeed the binding energy of the exciton due to the electron-hole attraction, i.e. the energy needed to separate the electron-hole pair in two independent electrons and holes.
Best,
Daniele
this is always the case when you are in the presence of bound excitons. The difference between the electronic bandgap and the optical gap is indeed the binding energy of the exciton due to the electron-hole attraction, i.e. the energy needed to separate the electron-hole pair in two independent electrons and holes.
Best,
Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/