QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: ams_nanolab on October 31, 2015, 17:25

Title: Charge density
Post by: ams_nanolab on October 31, 2015, 17:25

How can I visualize charge density on atoms as in http://arxiv.org/pdf/1506.04707.pdf ?

Title: Re: Charge density
Post by: Anders Blom on November 1, 2015, 21:54

Those are just Bloch functions.

Title: Re: Charge density
Post by: Umberto Martinez on November 2, 2015, 10:39

Here an example on how to plot them:
http://quantumwise.com/documents/tutorials/latest/GrapheneBloch/index.html/chap.blochstates.html

Title: Re: Charge density
Post by: zh 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.

Title: Re: Charge density
Post by: ams_nanolab on November 3, 2015, 07:48

Thanks for the help  ;D