QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: Jenny on October 31, 2014, 21:38

Title: how to build a metal nanowire
Post by: Jenny on October 31, 2014, 21:38

Hi, all.

Recently, I'd like to build a metal nanowire,and study its electronic properties. Is it possible? If so, would anyone give me some suggestion on "how to build the new geometry"?

Thanks in advance.

Best,

Jenny

Title: Re: how to build a metal nanowire
Post by: Anders Blom on November 3, 2014, 10:02

There is a special Nanowire tool in the Builder, under "Builders". That works fine also for metallic systems.

Title: Re: how to build a metal nanowire
Post by: Jenny on November 3, 2014, 19:45

Quote from: Anders Blom on November  3, 2014, 10:02

There is a special Nanowire tool in the Builder, under "Builders". That works fine also for metallic systems.

I'm not sure that whether I got it. But I attached the configuration I built it, does it make sense?

Title: Re: how to build a metal nanowire
Post by: Jenny on November 5, 2014, 16:23

Quote from: Anders Blom on November  3, 2014, 10:02

There is a special Nanowire tool in the Builder, under "Builders". That works fine also for metallic systems.

I changed the bond length and element in the nanotube builder, and form the configuration like the one attached. Does it make sense?
Please help me.

Jenny

Title: Re: how to build a metal nanowire
Post by: Anders Blom on November 5, 2014, 19:41

That's a copper nanoTUBE, not a nanoWIRE. What you should do is to open the Builders panel in the right-hand side plugin bar, and choose the "Nanowire" tool.