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.

 

[charng]

Hi there,

The density of states (DOS) is a measure of the number of electronic states available in a material at a given energy level. In your case, you are studying the DOS of a compound GaP(x)N(1-x) with varying composition (x). The DOS can provide valuable information about the electronic properties of a material and can help us understand how changes in composition affect the electronic states.

Based on the graph you have attached, it appears that as the composition (x) changes, there are variations in the peak heights and positions in the DOS curve. This suggests that the electronic states are also changing with the composition. For example, a peak at a specific energy level may become more prominent or shift to a different energy level as the composition changes. This could be due to changes in the band structure of the material or the formation of new electronic states.

In practical terms, this means that the electronic properties of the compound are dependent on its composition. By studying the DOS, we can gain insight into how changes in composition can affect the electronic behavior of the material. This information can be useful in designing and optimizing materials for specific electronic applications.

I hope this helps you in analyzing your graph. If you have any further questions, please don't hesitate to ask. Good luck with your research!