Author Topic: rectangular SiNW  (Read 2212 times)

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Offline MaryamNazirfakhr

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rectangular SiNW
« on: September 24, 2014, 01:12 »
Hello

I work on SiNWFETs by ATK 2013.
Could you possibly tell me that how can I creat a rectangular SiNW grown in <110> direction?
The confinement directions are <001> and <1 -1 0>  . 
The actual dimensions is 21.27Å*20.35Å and equivalently (m=16atom*n=12atom), where m and n denote the number of atoms in the <001> and <1 -1 0> directions respectively.

I have used builder => NW to creat a 2nm*2nm 110 NW, but I do not know how should I determine the surface energies. I have tried random numbers too ,but I could not achieve the rectangular shape. so I have decided to use the builder => surface(cleave...). it has 3 steps. Could you please give us a description about the parameterization? I would like to know that how should I change them in order to reach to the aforementioned structure?

I would appreciate a reply at your earliest convenience.
Regards
« Last Edit: September 24, 2014, 01:15 by MaryamNazirfakhr »

Offline Anders Blom

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Re: rectangular SiNW
« Reply #1 on: September 24, 2014, 23:52 »
If you want a particular shape, then just cleave and cut out the faces you want. Using the surface energies is for the case when you know the energies and want to see what shape that gives - your case is the opposite, you want a particular shape.

The cleaver should be very simple to use, on the first page you select 110 if that's what you want, then on the next page you select the side interfaces by dragging the arrows to make the correct cell shape, and third page you can skip, just click Create.

After that you can repeat it in X/Y (A/B) to make the cross section as large as you want, then add vacuum in Bulk>Lattice Parameters, then passivate with H atoms,
« Last Edit: September 24, 2014, 23:54 by Anders Blom »

Offline MaryamNazirfakhr

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Re: rectangular SiNW
« Reply #2 on: September 25, 2014, 23:51 »
hi

thank you for the answer ,but could you please explain a little more about the second step of the cleaver?
you mean that in second step i can define the confinement directions? in my case the confinement dirctions are <001> and <1 -1 0>, how can i define these confinement directions ?

thanks
« Last Edit: September 26, 2014, 00:16 by MaryamNazirfakhr »

Offline Anders Blom

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Re: rectangular SiNW
« Reply #3 on: September 27, 2014, 23:01 »
Yes, in step 2 you will be able to change the two surface vectors to match the desired directions. This is done visually, so you can just inspect how the vectors align with the crystal directions and compare to the directions your want.