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The figure below shows the spin density isosurfaces of 3x3x1 ScS2 monolayer supercell doped with Mn atoms. This figure was generated using VASPKIT and VESTA, with an isosurface level of 0.001 electron/Angstrom$^3$.

How to interpret this figure below? And what is the meaning of the blue and yellow color around atoms?

enter image description here

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    $\begingroup$ The unit is wrong. $\endgroup$
    – Jack
    Apr 2 at 12:06
  • $\begingroup$ Yes, thank you brother for you remark. $\endgroup$
    – Chi Kou
    Apr 2 at 12:47
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How to interpret this figure below? And what is the meaning of the blue and yellow color around atoms?

This figure basically tells you the probability that you can find spin-up and spin-down electrons. If I assume the yellow color represents the spin-up electrons, then the blue color (seems like cyan) will represent spin-down electrons. From your figure, we can see the spin-up electrons are dominant and the spin-down electrons are ignorable, which means you obtain a 2D FM monolayer.

You may take a look at this paper: https://pubs.rsc.org/en/content/articlelanding/2017/TC/C7TC02664A#!divAbstract

enter image description here

Hope it helps.

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