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Author Topic: how to write q sampling points in phonon density of states in graphene.  (Read 2982 times)

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Offline Gagandeep

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how to write q sampling points in phonon density of states in graphene.
« on: June 20, 2016, 20:35 »
Hi
can anybody guide me how to plot Phonon density of states in graphene as well as phonon band structure
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Offline Dipankar Saha

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Re: how to write q sampling points in phonon density of states in graphene.
« Reply #1 on: June 20, 2016, 20:43 »
You can follow a similar methodology as described in_

http://quantumwise.com/publications/tutorials/item/836-silicon-phonon-bandstructure

However, for a 2D materail like Graphene ....the  q-point sampling and the BZ route will be different.../ Besides, provide enough vacuum along the direction of thickness ....

Regards_
Dipankar
« Last Edit: June 21, 2016, 06:31 by Dipankar Saha »
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Offline zh

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Re: how to write q sampling points in phonon density of states in graphene.
« Reply #2 on: June 21, 2016, 02:45 »
The q sampling points  in phonon density of states in graphene  are quite similar to the k points in electron density of states in graphene. Please refer to the electron DOS and band structures calculations of graphene.
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