Thank you for the reply. I got the hexagonal Brillouin zone when a parallelogram supercell<br>was taken. I am planning to study other graphene based systems.<br>I really need to clarify this point.<br><br>Thanks <br><br><div class="gmail_quote">
On Thu, Sep 27, 2012 at 8:34 PM, Tone Kokalj <span dir="ltr"><<a href="mailto:tone.kokalj@ijs.si" target="_blank">tone.kokalj@ijs.si</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
On Mon, 2012-09-24 at 16:11 +0530, beda singh wrote:<br>
> Hi,<br>
> Recently I have started using xcrysden and have some questions<br>
> regarding the K-point selection. I have considered a graphene<br>
> structure with two carbon atoms in the unit cell. From the K-path<br>
> selection, I can see the primitive brillouin zone is hexagonal in<br>
> structure and I can directly read coordinates of the symmetric points<br>
> viz. Gamma, M and K in the reciprocal lattice. But when I increase the<br>
> number of carbon atoms in the unit cell say four atoms or eight stoms,<br>
> the primitive brillouin zone comes out not to be hexagonal but<br>
> rectangular in shape which is wrong.<br>
<br>
The shape of the Brillouin zone depends on the shape of your supercell.<br>
If you have chosen a rectangular supercell then also the corresponding<br>
Brillouin zone will be rectangular.<br>
<br>
Regards, Tone<br>
<span class="HOEnZb"><font color="#888888"><br>
--<br>
Anton Kokalj<br>
J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia<br>
(tel: +386-1-477-3523 // fax:+386-1-477-3822)<br>
<br>
Please, if possible, avoid sending me Word or PowerPoint attachments.<br>
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<br>
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