QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: nehasaxena on October 18, 2013, 11:43

Title: bandstructure with M,K points of graphene sheet in ATK-VNL
Post by: nehasaxena on October 18, 2013, 11:43

How can we plot bandstructure with M,K points in ATK-VNL

Title: Re: bandstructure with M,K points of graphene sheet in ATK-VNL
Post by: Anders Blom on October 18, 2013, 18:36

http://www.quantumwise.com/documents/tutorials/latest/BasicGrapheneTutorial/index.html/chap.graphene_bandstructure.html

Title: Re: bandstructure with M,K points of graphene sheet in ATK-VNL
Post by: nehasaxena on October 19, 2013, 09:10

I try this method but iam able to find bandstructure with M.K points for only single crystal of graphene. but when iam trying with sheet iam not able to get bandstructure with M,K points. So, Please help me .

Title: Re: bandstructure with M,K points of graphene sheet in ATK-VNL
Post by: Dipankar Saha on October 19, 2013, 11:27

It is not required...., specially when the Structure is in the form of a sheet or a Ribbon..... Route through G,Z....that will suffice the case....

Title: Re: bandstructure with M,K points of graphene sheet in ATK-VNL
Post by: Anders Blom on October 19, 2013, 12:14

Precisely. The symmetry points M,K etc are not related to the material or atoms (graphene) but the shape of the unitcell. So if the cell is not hexagonal, the symmetries are different and M,K don't make sense.