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The radius value
Posted: Mon Jun 16, 2014 9:59 am
by fatimazahra
Hi
I want to calculate the raduis value for an exciton in 2D material, I have already seen in material nanoribbons and nanotubes that we must plot one-dimensional electron probability distribution by gnuplot, do we do same for material 2d ?
Re: The radius value
Posted: Mon Jun 16, 2014 10:03 am
by Daniele Varsano
Dear Fatima,
you can plot either a 1D choosing a preferred direction, either a 2D exciton function to be visualized with the xcrysden sofware.
Code: Select all
Format= "x" # Output format [(c)ube/(g)nuplot/(x)crysden]
Direction= "12" # [rlu] [1/2/3] for 1d or [12/13/23] for 2d [123] for 3D -> this is ofr xy plane
Best,
Daniele
Re: The radius value
Posted: Mon Jun 23, 2014 11:55 pm
by fatimazahra
Hi
Dr.Daniele thank you very much for your replay,
my question was about radius value of the exciton. In your article (Phys. Rev. B 84, 041401(R) (2011)) in FIG. 3 you plot the Electron distribution along the axis Z. but in the case of graphene, if we want to plot (by gnuplot) the destribution along the axis to determine the value of the radius of the exciton, which axis should we choose?
Re: The radius value
Posted: Tue Jun 24, 2014 8:49 am
by Daniele Varsano
Dear Fatima,
there is not a rule for that. For a 2D system, I would have a look at the distribution on the plane and from there, depending on the orientation of your system, you can recognize an axis to plot. If you put the hole in a symmetric point two axis of the plane are equivalent.
Best,
Daniele