QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: bfazi on February 26, 2017, 20:58

Title: Core-Shell nanowire
Post by: bfazi on February 26, 2017, 20:58

Hello,

I want to build a core-shell nanowire with Si core and Ge shell. Should I passivate the Si core with hydrogen atoms and then cover the core with Ge nanowire or not?

Thank

Title: Re: Core-Shell nanowire
Post by: Daniele Stradi on February 27, 2017, 09:14

That really depends on what you want to do. I would suggest a literature search on the topic, for example:

http://journals.aps.org/prb/abstract/10.1103/PhysRevB.80.235333

Once you have found a structure that suits your needs, then we can help you in understanding how to set it up with ATK/VNL.

Title: Re: Core-Shell nanowire
Post by: zh on March 1, 2017, 00:35

You may first create a silicon nanowire and then replace some of silicon atoms by Ge atoms.