about magnon dispersion of monolayer CrI3

[Liangbo Liang]

Dear Dr. HeXu,

I am learning TB2J and trying to obtain magnon dispersion. For the example of CrI3 with abacus provided by you, the magnon dispersion (attached) seems to be odd. There are six branches instead of two. The unit cell has two Cr atoms. For the case without SOC, the dispersion is correct with two branches. 

Thanks!

Liangbo

[Xu He]

Hi, 

There is a new magnon implementation in TB2J. It is not released yet but you can try installing the version from the TB2J github (https://github.com/mailhexu/TB2J), and then run:

TB2J_plot_magnon_band.py

 in the TB2J directory. Please note that this should not be used in production yet, as we are still doing some test. 

Best regards, 

HeXu

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[Sourav Rudra]

Dear Prof. HeXu

Does this new version support the calculation of magnon band structure for 3D Antiferromagnetic system also?

Thank you with kind regards 

Sourav Rudra

PhD Student 

CPMU JNCASR INDIA 

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[Liangbo Liang]

Dear Dr. HeXu,

Is TB2J_plot_magnon_band.py in the final production stage? I used it in the version of 0.9.12.17. However, its magnon frequencies are systematically higher than those obtained by TB2J_magnon.py from the Multibinit exchange.xml. This is for monolayer CrI3, but similar differences are found for other systems too. I don't know which one is correct. 

Thanks!

Liangbo

[Xu He]

Hello, 

This is not production ready. Neither of them should be used in CrI3 system. The TB2J_plot_magnon_band.py is the future but there are still tests to be done. And the TB2J_magnon.py code is very primitive and does not support many features. 

In principle the new implementation can be used for antiferromagnetic systems. But still more tests are needed. 

I will start in 2026 to finish the tests and likely it will be release after that. 

Thanks for the patience!

Best, 

HeXu