[QE-users] Projected band structure

[Ubaid Mohd]

How can we plot projected band structure using quantum espresso? If yes,
what is the procedure? I want to plot the band structure like attached file.
Thanks and regards
*Mohammad Ubaid*
*PhD Research Scholar*
*Department of Physics*
*Jamia Millia Islamia University*
*New Delhi - 110025*


On Sat, Nov 10, 2018 at 7:52 PM Oleksandr Motornyi <
oleksandr.motornyi at polytechnique.edu> wrote:

> Dear Mohammad,
>
> For the projected band structure I suggest you to take a look at thermo_pw
> code https://dalcorso.github.io/thermo_pw/ specifically the
> "scf_2d_bands" option. It well documented and has examples for most
> options. Using it you can get pictures like one in the attachment,  where
> yellow shaded zone is the projected bulk band structure, lines are the
> electronic band structure of the gold slab and dots are surface states.
>
> Best regards
>
> On 09/11/18 11:00, Ubaid Mohd wrote:
>
> Dear users,
>  How to plot the projected electronic band structure of the hetero
> structure and differentiate the band structure of both the systems? I have
> plotted the band structure of the composed system (graphene+phosphorene)
> and want to visualize separately.
> Also, I want to find the Schottky barrier height (SBH) of the
> metal/semiconductor junction. I have tried a lot to find tutorials for
> this. Could you please tell me the procedure of finding the SBH using
> quantum espresso?
> Thanks and regards
>
> *Mohammad Ubaid*
> *PhD Research Scholar*
> *Department of Physics*
> *Jamia Millia Islamia University*
> *New Delhi - 110025*
>
>
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>
>
> --
> Oleksandr Motornyi
> PhD candidate
>
> Laboratoire de Solides Irradies
> Ecole Polytechnique (Palaiseau, France)
>
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