[Pw_forum] About the size of electrode

[Alex Smogunov]

Dear  Pankaj.
It is not a problem, you can have vacuum in the XY plane, it is
the case of infinite monatomic wires with some adatom, for example.
The important point is to have long enough scattering region, with
many "lead" atoms on the right and on the left to match from both
sides to the bulk-like potential of the leads.
You can see some our examples.
HTH,
Alexander



As electrodes you can h

Le 18 avril 2012 19:10, pankaj sahota <pankajsahota at gmail.com> a écrit :

> Hi,
>
> Is it possible that an electrode can contain vacuum on x and y directions,
> The size of electrode to be used remain as the size of layers of electrode
> attached to the lead. Because from the reference (A. Smogunov, A. Dal
> Corso, E. Tosatti, Phys. Rev. B 70, 045417 (2004)) given for the PWCOND,
> it is looking like that. But according to the book by Supriyo Datta, the
> electrode size should be large.
>
> --
> Pankaj Kumar
> DST Project Fellow(Ph.D.)
> Department of Physics
> The LNM IIT Jaipur
> Mob. No. +91 9736694726
>
>
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120419/ddee67ff/attachment.htm