Author Topic: bandstructure with M,K points of graphene sheet in ATK-VNL  (Read 3360 times)

0 Members and 1 Guest are viewing this topic.

Offline nehasaxena

  • Regular QuantumATK user
  • **
  • Posts: 6
  • Country: in
  • Reputation: 0
    • View Profile
How can we plot bandstructure with M,K points in ATK-VNL

Offline Anders Blom

  • QuantumATK Staff
  • Supreme QuantumATK Wizard
  • *****
  • Posts: 5405
  • Country: dk
  • Reputation: 89
    • View Profile
    • QuantumATK at Synopsys

Offline nehasaxena

  • Regular QuantumATK user
  • **
  • Posts: 6
  • Country: in
  • Reputation: 0
    • View Profile
Re: bandstructure with M,K points of graphene sheet in ATK-VNL
« Reply #2 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 .

Offline Dipankar Saha

  • Supreme QuantumATK Wizard
  • *****
  • Posts: 516
  • Country: in
  • Reputation: 5
    • View Profile
Re: bandstructure with M,K points of graphene sheet in ATK-VNL
« Reply #3 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....

Offline Anders Blom

  • QuantumATK Staff
  • Supreme QuantumATK Wizard
  • *****
  • Posts: 5405
  • Country: dk
  • Reputation: 89
    • View Profile
    • QuantumATK at Synopsys
Re: bandstructure with M,K points of graphene sheet in ATK-VNL
« Reply #4 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.