Author Topic: Charge density  (Read 3398 times)

0 Members and 1 Guest are viewing this topic.

Offline ams_nanolab

  • Supreme QuantumATK Wizard
  • *****
  • Posts: 389
  • Country: in
  • Reputation: 11
    • View Profile
Charge density
« on: October 31, 2015, 17:25 »
How can I visualize charge density on atoms as in http://arxiv.org/pdf/1506.04707.pdf ?

Offline Anders Blom

  • QuantumATK Staff
  • Supreme QuantumATK Wizard
  • *****
  • Posts: 5576
  • Country: dk
  • Reputation: 96
    • View Profile
    • QuantumATK at Synopsys
Re: Charge density
« Reply #1 on: November 1, 2015, 21:54 »
Those are just Bloch functions.

Offline Umberto Martinez

  • Supreme QuantumATK Wizard
  • *****
  • Posts: 479
  • Country: dk
  • Reputation: 26
    • View Profile
Re: Charge density
« Reply #2 on: November 2, 2015, 10:39 »

Offline zh

  • Supreme QuantumATK Wizard
  • *****
  • Posts: 1141
  • Reputation: 24
    • View Profile
Re: Charge density
« Reply #3 on: November 3, 2015, 02:54 »
Additional comment:
The quantity shown in Figure 5 of arXiv:1506.04707v1 is the square of Bloch states at the band edges.

Once you calculate the Bloch states at the band edges, you can do further manipulations by a short coding in order to the obtain the square of Bloch states.

Offline ams_nanolab

  • Supreme QuantumATK Wizard
  • *****
  • Posts: 389
  • Country: in
  • Reputation: 11
    • View Profile
Re: Charge density
« Reply #4 on: November 3, 2015, 07:48 »
Thanks for the help  ;D