Author Topic: how to construction multilayer's graphene (1-5layers) based on a gold electrode  (Read 11894 times)

0 Members and 1 Guest are viewing this topic.

Offline martin

  • New QuantumATK user
  • *
  • Posts: 2
  • Reputation: 0
    • View Profile
Dear friends of the forum,


The following is the monolayer graphene script:
------------------------------------------
armchair = False   # False -> zigzag
width = 10        # ribbon width across, number of layers (must be even for zigzag)
repetitions = 10    # repetitions of the minimal unit along the ribbon
PAC = True         # False -> molecule

# C-C and C-H and unit cell padding distances (all in Angstrom)
aCC = 1.42086
aCH = 1.101
cell_pad = 30.

---
----------------------------------------------------

so i want to know that how to construction multilayer's graphene (1-5layers) based on a gold electrode of two probe system .

Graphene:1-5layers including 10-20 atoms.
Thanks in advance.

Offline FlyFlower

  • Regular QuantumATK user
  • **
  • Posts: 12
  • Reputation: 0
    • View Profile
My opinion is that you can change PAC = False , and construct numbers of scripts like this (you wanted), then drop them into 'Atomic Manipulator' as molecules and tune each relative position. ;)