Given by my band diagram (made using the tight-binding $sp^3s*$ method), does my JDOS make any sense?

I have calculated the JDOS using all possible direct transitions between the valence bands and the conduction bands, and it seems that values below my direct gap (which is of 3.43 eV) are present.

It seems to make sense, as in the $K-\Gamma$ direction of k-values the transition energy is lower than in $\Gamma$, but I'm not sure if this is the right approach.

Si energy bands - t.b. sp^3s*


  • 2
    $\begingroup$ Nice work! If there is wave function overlap between those points in k-space and phonons available to assist in the transition to conserve momentum, yes, I think that should be fine! $\endgroup$
    – boyfarrell
    Apr 16, 2021 at 10:23


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