QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: PR on January 16, 2014, 16:51

Title: III-V nanowire
Post by: PR on January 16, 2014, 16:51

Hi Friends,
I want to make nanowire of III-V compound semiconductor (e.g. nanowire of In[0.57]Ga[0.43]As).
Can you please tell me how I can do it in ATK 13.8 version.

Thanks in advance.

Title: Re: III-V nanowire
Post by: PR on January 26, 2014, 17:18

Dear sir,
I am still waiting for the reply on my query of building any compound/alloy semiconductor geometry (In(0.53)Ga(0.47)As nanowire) in ATK 13.8 .

Thanks
PR

Title: Re: III-V nanowire
Post by: Nordland on January 26, 2014, 18:48

It is very easy to build nanowire in VNL once you have the "building blocks" to build it with:
http://quantumwise.com/documents/tutorials/latest/NanowireDevice/NanowireDevice.pdf

However the biggest challenge is that, is that for In_0.53Ga_0.47As, it is not well known what the crystal looks like,
and how the elements are arranged.

Title: Re: III-V nanowire
Post by: PR on January 27, 2014, 05:05

Thanks for your response.
I know how to build nanowire in ATK. My problem is to build nanowire having composition In(0.53)Ga(0.47)As. Can you please tell me whether it is possible in ATK or not. If yes then kindly tell me the steps to build the composition In(0.53)Ga(0.47)As .


Thanks
PR

Title: Re: III-V nanowire
Post by: Umberto Martinez on January 27, 2014, 08:59

A simple model would be to create a InAs nanowire and substitute 47% of the In atoms with Ga atoms following some pattern.
As Nordland pointed out, this arrangement of atoms is the main issue.

You may want to study the In0.5Ga0.5As stoichiometry first (smaller cell as you have to substitute exactly half of the In atoms) to test different atoms arrangement.