« previous next »
Pages: [1]   Go Down

Author Topic: Fermi velocity  (Read 6208 times)

0 Members and 1 Guest are viewing this topic.

Offline Dipankar Saha

  • Supreme QuantumATK Wizard
  • *****
  • Posts: 516
  • Country: in
  • Reputation: 5
    • View Profile
Fermi velocity
« on: March 28, 2015, 21:28 »
In ATK .......... how can we obtain Fermi velocity ?
Logged

Offline zh

  • Supreme QuantumATK Wizard
  • *****
  • Posts: 1141
  • Reputation: 24
    • View Profile
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
Logged

Offline Umberto Martinez

  • Supreme QuantumATK Wizard
  • *****
  • Posts: 479
  • Country: dk
  • Reputation: 26
    • View Profile
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.

Logged

Offline Dipankar Saha

  • Supreme QuantumATK Wizard
  • *****
  • Posts: 516
  • Country: in
  • Reputation: 5
    • View Profile
Re: Fermi velocity
« Reply #3 on: April 1, 2015, 15:28 »
Thanks a lot zh for your reply..... :)   
Logged

Offline Dipankar Saha

  • Supreme QuantumATK Wizard
  • *****
  • Posts: 516
  • Country: in
  • Reputation: 5
    • View Profile
Re: Fermi velocity
« Reply #4 on: April 1, 2015, 15:29 »

Umberto Martinez,

That will be of great help ..... !!! Thank you .... :)
Logged

Offline Dipankar Saha

  • Supreme QuantumATK Wizard
  • *****
  • Posts: 516
  • Country: in
  • Reputation: 5
    • View Profile
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
Logged

Offline Dipankar Saha

  • Supreme QuantumATK Wizard
  • *****
  • Posts: 516
  • Country: in
  • Reputation: 5
    • View Profile
Re: Fermi velocity
« Reply #6 on: September 3, 2015, 20:36 »
Hello,
Is this  feature available....in RC1 ?

Best_
Dipankar
Logged

Offline Jess Wellendorff

  • QuantumATK Staff
  • Supreme QuantumATK Wizard
  • *****
  • Posts: 933
  • Country: dk
  • Reputation: 29
    • View Profile
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.
Logged

Offline Dipankar Saha

  • Supreme QuantumATK Wizard
  • *****
  • Posts: 516
  • Country: in
  • Reputation: 5
    • View Profile
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. ) ??
Logged

Offline Jess Wellendorff

  • QuantumATK Staff
  • Supreme QuantumATK Wizard
  • *****
  • Posts: 933
  • Country: dk
  • Reputation: 29
    • View Profile
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.
Logged

Offline Dipankar Saha

  • Supreme QuantumATK Wizard
  • *****
  • Posts: 516
  • Country: in
  • Reputation: 5
    • View Profile
Re: Fermi velocity
« Reply #10 on: September 7, 2015, 17:09 »
Dr. Jess Wellendorff,

Many Thanks ......  :)
Logged
Pages: [1]   Go Up
« previous next »