excitation energy

Anything regarding the post-processing utility (e.g. excitonic wavefunction analysis) is dealt with in this forum.

Moderators: Davide Sangalli, andrea marini, Daniele Varsano

Post Reply
fatimazahra
Posts: 52
Joined: Mon Oct 28, 2013 10:15 am

excitation energy

Post by fatimazahra » Fri Mar 28, 2014 1:31 pm

Hi
I'm trying to calculate excitation energy for silicene. (Definition of excitation energy is the first peac in spectre of dielectric function), in the paper as follow [PhysRevB.88.045203] they worked by third peac.
2) For binding enery which is defined as the difference between the excitation energy and the QP energy. in silicene (zero-gap semimetallic), binding energy is equal to the excitation energy.
Thank you
ramadan.png
You do not have the required permissions to view the files attached to this post.
Fatima Ezzahra Ramadan
PhD student
LPHE-Simulation-Modeling,Université Mohammed 5 Agdal Rabat Morocco
f.ramadan88@gmail.com

User avatar
Daniele Varsano
Posts: 4231
Joined: Tue Mar 17, 2009 2:23 pm
Contact:

Re: excitation energy

Post by Daniele Varsano » Fri Mar 28, 2014 5:03 pm

Dear Fatima,
I'm sorry but I do not have understand exactly what is your question, could you try to explain it better?
Anyway I do not recognize your definition of binding energy, the binding energy is defined as the difference between the QP gap (free electron and hole) and the excitation energy (bound electron-hole). In case of 0 gap system, I can't find a way to define a binding energy with this definition, even if you can have confined excitation so, somehow bounded. May be you can have a look to the difference between an independent quasi particle spectra and the BSE spectra.

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/

Post Reply