Questions tagged [magnetic-field]

For questions related to simulating the effects of magnetic fields.

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3 votes
0 answers
44 views

Does hysteresis depend on anisotropy?

I was reading a manual on magnetic materials. It discussed the origin of hysteresis of ferromagnetic materials, but it is not clear to me whether or not it depends on anisotropy. I understand that the ...
  • 461
6 votes
0 answers
66 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 ...
  • 879
7 votes
0 answers
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
1 answer
165 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
1 answer
62 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 ...
  • 153
12 votes
2 answers
228 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
3 answers
973 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 ...
  • 641
17 votes
1 answer
266 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 ...
18 votes
3 answers
374 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?