How Does Composition Affect the Density of States in GaP(x)N(1-x)?

[gjfelix2006]

Density of State question, help please!

Hi, I'm working with the Compound GaP(x)N(1-x) 0<x<1, varying the composition (x) and calculating the DOS total, and Partial (per atom) with wien2k (DFT, lapw+lo, etc). Obviously, I'm doing this for a professor. (the result graph is attached). Now i have to explain the variation in states depending the composition (x). But, i don't know what to say. By example, if i see a variation on a peak or a displacement of the curve, etc. What can i say about that?? in the practice what does this means?? In other words, can you help mi analyzing this graph!? I'll appreciate any halp. Thanks a lot!

 

[ZapperZ]

The most obvious feature here is the size of the band gap as you change the doping value. Look at the valence band (the band below the Fermi energy, which I've assumed you normalized to 0 in that graph), and the band above. You'll see that the gap has a trend as you change the doping amount.

Zz.