QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: ashish on April 1, 2018, 10:01

Title: Zigzag and armchair β-Arsenene nanoribbons
Post by: ashish on April 1, 2018, 10:01

To,
Respected ATK expert,

Please suggest to me. how to build Zigzag and armchair  β-Arsenene nanoribbons.


Thanks

Title: Re: Zigzag and armchair β-Arsenene nanoribbons
Post by: Petr Khomyakov on April 1, 2018, 10:32

This might be helpful to do it, see https://docs.quantumwise.com/tutorials/vnl_graphene_transistor/vnl_graphene_transistor.html#vnl-graphene-transistor-small. Note that you can always replace C atoms with As in the Builder, using the Periodic Table plugin in the Builder.

Title: Re: Zigzag and armchair β-Arsenene nanoribbons
Post by: ashish on April 2, 2018, 09:04

To,
Respected ATK expert,

Please suggest to me. how to build Arsenene nanoribbons as given in paper.


https://www.sciencedirect.com/science/article/pii/S0749603615301476

Thanks

Title: Re: Zigzag and armchair β-Arsenene nanoribbons
Post by: Petr Khomyakov on April 3, 2018, 14:10

You may use Crystal Builder to build bulk 2D crystal, using a primitive cell or unit cell, see https://docs.quantumwise.com/tutorials/crystal_builder/crystal_builder.html, and then use  Repeat plugin in the Builder to make a nanosheet. A nanoribbon can be created by etching the nanosheet, i.e., removing some of the  atoms to design the required nanoribbon edges.