Header Ads Widget

Ab initio Calculations Using Wien2k Code

Last Posts

10/recent/ticker-posts

How to construct Graphene structure and calculate its electronic properties

In this tutorial we will present how to construct the structure of the graphene and calculate its electronic properties.


First:

The graphene is defined according to wikepedia as follows:

Graphene is an allotrope (form) of carbon consisting of a single layer of carbon atoms arranged in an hexagonal lattice.[1][2] It is the basic structural element of many other allotropes of carbon, such as graphitecharcoalcarbon nanotubes and fullerenes.

Reference: https://en.wikipedia.org/wiki/Graphene


Second:

To construct the crystal structure of the graphene from the graphite structure we use the Vesta software as it's shown in the following vodeo.



Third:

To calculate the band structure and the density of states of the graphene see the following video:




Post a Comment

0 Comments