QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: hegdemanu on April 29, 2020, 22:25

Title: GaAs(110)_surface
Post by: hegdemanu on April 29, 2020, 22:25

Hello
I am having hrad time in constructing GaAs(110) surface using surface cleave tool. I am trying to reproduce the structure from the following paper Fig 1 (attached), but no luck. Ended up getting wrong structure (attached images).  If you could help me on that would be great.




Regards,
Manu
(McMaster University)

Title: Re: GaAs(110)_surface
Post by: Petr Khomyakov on May 12, 2020, 02:08

Please attach a script for the figure you have posted.

Keep in mind that in the Cleave Tool there exist two options of choosing a termination plane and also set the in-plane lattice vectors. Using these two options, you must be also create any surface of InAs, provided that all the surface atoms in that paper are kept at their bulk InAs sites, i.e., not moved manually. If moved, you may then use Move Tool in the Builder to manipulate surface atoms after cleaving a surface.