QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: ramkrishna on February 17, 2012, 10:19

Title: Square Silicon nanowire
Post by: ramkrishna on February 17, 2012, 10:19

Dear Sir,
        how can I make SQUARE  [111] Silicon nanowire by using builder or custom builder(--> nanowire)? When I am going to cleave along [111] using builder, it does not give square cross-section.

Regards
Ramkrishna

Title: Re: Square Silicon nanowire
Post by: Anders Blom on February 17, 2012, 11:52

You can try to use the Nanowire custom builder, and adjust the relative surface energies. Or, you can wait for ATK 12.2 for which we may (may!) have a beta-version ready for public release next week. There you can just cleave the Si, make a large supercell, then draw a rectangular shape with the mouse are cut it out. See the screenshot - this system takes a minute or less to build in VNL 12.2, and that's including the hydrogen passivation (click a button - done!).

Title: Re: Square Silicon nanowire
Post by: ramkrishna on February 17, 2012, 12:05

I have tried in custom builder by changing the surface energies, but can't get this, so I feel, I have to wait tor the bita version :)