QuantumATK Forum

QuantumATK => Scripts, Tutorials and Applications => Topic started by: martin on December 10, 2009, 10:26

Title: how to construction multilayer's graphene (1-5layers) based on a gold electrode
Post by: martin on December 10, 2009, 10:26

Dear friends of the forum,


The following is the monolayer graphene script:
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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.

Title: Re: how to construction multilayer's graphene (1-5layers) based on a gold electrode
Post by: FlyFlower on December 21, 2009, 02:52

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. ;)