QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: karma on December 29, 2017, 11:50

Title: Nanowire direction
Post by: karma on December 29, 2017, 11:50

how to create nanowires with direction such as [001] & [010]

Title: Re: Nanowire direction
Post by: lknife on January 2, 2018, 02:29

Do you know which direction is the [001] or [010] direction? If so, in my opinion, you can make this direction, such as [001] direction, to be the c direction of the nanosheet, by swapping the axis. Then, cut the nanosheet to form a nanowire.

Title: Re: Nanowire direction
Post by: Jess Wellendorff on January 2, 2018, 15:45

The Nanowire builder in VNL (Builders -> Nanowire) lets you create nanowires from bulk configurations (e.g. Cu nanowires).

Title: Re: Nanowire direction
Post by: karma on January 3, 2018, 12:10

Thank u for your reply sir..... i have to use both the direction that I hv mentioned but since I am using different phases of tio2 to construct the nanowire and also I have to provide surface energy to promote the favourable surface

Title: Re: Nanowire direction
Post by: karma on January 3, 2018, 12:12

 the builder does not provide the option for the directions that I have mentioned

Title: Re: Nanowire direction
Post by: Ulrik G. Vej-Hansen on January 8, 2018, 14:54

You can add them yourself, by clicking the Add button. However, a Wulff construction might not be a particularly good model if (100) and (001) have very different surface energies.