Author Topic: slab  (Read 2703 times)

0 Members and 1 Guest are viewing this topic.

Offline sara

  • New QuantumATK user
  • *
  • Posts: 3
  • Reputation: 0
    • View Profile
slab
« on: July 3, 2014, 21:52 »
Dear friends,
I am trying to construct  tio2 rutile 110 slab.  which of these parts should I choose to create slab?

     non periodic and normal (slab)
     periodic and normal(electrode)
     periodic(bulk - like)
I have another question. Is  slab and layer the same?

Offline Umberto Martinez

  • Supreme QuantumATK Wizard
  • *****
  • Posts: 479
  • Country: dk
  • Reputation: 26
    • View Profile
Re: slab
« Reply #1 on: July 4, 2014, 08:55 »
slab!
and add a vacuum region on above and below your structure.
The Surface Cleave plugin is used to create slabs here http://quantumwise.com/publications/tutorials/mini-tutorials/245 and here http://quantumwise.com/publications/tutorials/mini-tutorials/244
for example.

With "slab" you usually define the whole your structure which is formed by a certain number of layers.