Author Topic: Nanowire (001)  (Read 1099 times)

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Offline karma

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Nanowire (001)
« on: October 15, 2017, 13:06 »
how do i create nanowires in the direction (001) ......I have tried using surface(cleave).....tried matching the nanowire created from the nanowire plugin and using surface cleave for (100)  ,however there still seems to be some difference ....i am unable to control the surface energy and i have to delete atoms to construct the proper nanowire

Offline Jess Wellendorff

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Re: Nanowire (001)
« Reply #1 on: October 16, 2017, 07:53 »
Select a primitive bulk configuration in the Stash, and use the Nanowire Builder to create a nanowire bulk with (100), (110), or (111) orientation. You should also decide on the NW radius and set the surface energy values such that their relative sizes match. After that, you may want to repeat the NW configuration along the z-direction.

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Re: Nanowire (001)
« Reply #2 on: October 17, 2017, 16:11 »
thank u for ur reply but my question was on how to create nanowire in the (001) direction ,since there is no option in the nanowire builder for this direction ....i experimented using the surface cleave option for (100) and compared it with the  nanowire that was created using the nanowire builder.....however unlike in the nanowire builder i cannot set the surface energy and the nanowire created using surface cleave seems to be a bit different....does this mean i have to manually crop the shape of the nanowire which we automatically get using the nanowire builder tool.

Offline Jess Wellendorff

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Re: Nanowire (001)
« Reply #3 on: October 18, 2017, 09:08 »
The (001) direction is completely equivalent to (100), and to (010). So just use the Nanowire Builder with the (100)  wire direction.