Questions tagged [magnetic-field]

For questions related to simulating the effects of magnetic fields.

Filter by
Sorted by
Tagged with
5
votes
0answers
34 views

What are Crystal Electric Field Parameters?

What does the following notation mean? $$A_{20}\left<r^2\right> = -100 \mathrm{K}$$ Where $A_{20}$ is termed a Crystal Electric Field Parameter. I often see this notation when reading papers on ...
7
votes
0answers
40 views

Difference between graphics in the Zeeman effect [closed]

I've been reading articles about Zeeman's effect on TMDs specifically on WSe$_2$. In the article: Srivastava, Ajit, Sidler, Meinrad, Allain, Adrien, Lembke, Dominik, Kis, Andras, Imamoğlu, A., Valley ...
8
votes
1answer
79 views

Valleys and time reversal symmetry (Zeeman effect)

Right now I'm focused on transition metal dichalcogenides. These compounds in the Brillouin zone have valleys in the valence band and in the conduction band at points K and -K. From what I've seen of ...
5
votes
1answer
58 views

What are the more efficient, or easier, methods of handling electromagnetic interactions?

Since metals, metalloids, non-metals, and composites, have differing characteristics, plug-and-play methods, so to speak, would be useful. Also, as it’s well known that a moving electrical field ...
11
votes
1answer
137 views

Predicting magnetic moment of a metal complex computationally

Recently, for entrance exams, I have been dealing with a lot of weird compounds. One of them is $\ce{K3[Mn(CN)6]}$. The objective was to predict the magnetic moment of the above complex. I predict ...
12
votes
3answers
627 views

External magnetic field in VASP?

I have never found any tags or documentation regarding external magnetic field in VASP but in different well known published articles$^1$, the implementation of the external magnetic field by VASP has ...
17
votes
1answer
235 views

What is the difference between BDFT and CDFT (magnetic-field DFT and current DFT)?

Following the previous discussion on DFT in strong fields, I would like to ask about the difference between those two alternatives (BDFT and CDFT). By CDFT I do not mean (constrained DFT, but current ...
17
votes
3answers
233 views

Does anyone know any software for MD simulation which include the effect of magnetic field?

I am interested to generate some configurations from MD simulations which include the presence of strong magnetic field. Does anyone know any software that has some functionality to do this?