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Offline Dipankar Saha

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Fermi velocity
« on: March 28, 2015, 21:28 »
In ATK .......... how can we obtain Fermi velocity ?
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Offline zh

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Re: Fermi velocity
« Reply #1 on: March 30, 2015, 11:27 »
For the calculation of the Fermi velocity of graphene at the Dirac point, you can refer to the following  paper:
http://arxiv.org/pdf/1302.1843v1.pdf
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Offline Umberto Martinez

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Re: Fermi velocity
« Reply #2 on: March 30, 2015, 11:29 »
Let me add that it will be possible to perform this analysis "out of the box" with the next release, ATK 2015.

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Offline Dipankar Saha

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Re: Fermi velocity
« Reply #3 on: April 1, 2015, 15:28 »
Thanks a lot zh for your reply..... :)   
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Offline Dipankar Saha

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Re: Fermi velocity
« Reply #4 on: April 1, 2015, 15:29 »

Umberto Martinez,

That will be of great help ..... !!! Thank you .... :)
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Offline Dipankar Saha

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Re: Fermi velocity
« Reply #5 on: April 21, 2015, 20:15 »

Dr. Umberto Martinez,

As it was said earlier,  ......we really do expect to see  the  analysis 'out of the box' __ featuring the calculation of "Fermi velocity"  (with your next  release)  !!!   :)

Thanks and Regards___
Dipankar
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Offline Dipankar Saha

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Re: Fermi velocity
« Reply #6 on: September 3, 2015, 20:36 »
Hello,
Is this  feature available....in RC1 ?

Best_
Dipankar
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Offline Jess Wellendorff

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Re: Fermi velocity
« Reply #7 on: September 4, 2015, 15:48 »
Yes, ATK 2015.rc1 calculates the Bloch-state velocity = 1/hbar dE/dk from first-order pertubation theory. Please see the attached script. The value v_F = 8*10^5 m/s matches literature values (~10^6 m/s) very well. There will probably not be VNL scripter support for this analysis.
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Offline Dipankar Saha

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Re: Fermi velocity
« Reply #8 on: September 4, 2015, 17:47 »
Thanks a lot Jess.....!!!  :)
____________
By d way, is this method...named "calculateVelocity" is a generic one..... (for a given k-point  and the band. struct. ) ??
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Offline Jess Wellendorff

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Re: Fermi velocity
« Reply #9 on: September 7, 2015, 13:35 »
The function works for a given k-point and for a given list of band indices.

Please note that the function resides in the more experimental part of the ATK code. This means it works, but does not necessarily provide useful error messages or checks on validity of the input parameters. For expert users only :) Also, we provide only limited support on such functionality.
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Offline Dipankar Saha

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Re: Fermi velocity
« Reply #10 on: September 7, 2015, 17:09 »
Dr. Jess Wellendorff,

Many Thanks ......  :)
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