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Author Topic: Rippled graphene sheet  (Read 3113 times)

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Offline ams_nanolab

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Rippled graphene sheet
« on: November 8, 2012, 11:56 »
Dear Sir,
If we want to twist / introduce ripples in a sheet of 2-D material, then how should we proceed?  For nanoribbon there are some codes/ plugins available here, but how to implement a rippled graphene sheet of say 10nmx10nm?
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Offline Anders Blom

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Re: Rippled graphene sheet
« Reply #1 on: November 8, 2012, 12:28 »
The plugins at http://quantumwise.com/forum/index.php?topic=1791.0 are not designed only for nanoribbons, they work fine for sheets too.
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Offline ams_nanolab

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Re: Rippled graphene sheet
« Reply #2 on: November 8, 2012, 13:55 »
Do these plugins treat the rippled system as a new supercell or do they just include the perturbations in the TB model ?
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Offline Anders Blom

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Re: Rippled graphene sheet
« Reply #3 on: November 8, 2012, 13:57 »
The plugins are builder plugins, they change the coordinates of the atoms. Whether or not a TB model captures the effects of the rippling depends largely on the quality of the model, if it is sensitive to changes in distance (and perhaps angle) of the bonds.
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