Dear all
I am using VASP software to determine DOS and when I tried to draw the DOS of my sample, I found several energy gaps. Which part in the figure below shows the right DOS of my sample? there are several gaps:
From -116 - (-11.4)
-10.8 - (-6.3)
-5.5 - (-3.4)
0 - 2.1
I am confused.
Thank you in advance .
This figure is DOS of your sample. I think you are looking for band gap. You should determine E-fermi from OUTCAR file first. The fermi energy is between conduction band and valence band; for example if fermi energy is 0.1, then your band gap is 2.1-0.
In semi-conductors and insulators there is a region of energy just above the Fermi energy which has no bands in it – this is called the band gap.
This is basic in condensed matter physics. Although I understand you should be new to DFT, you had better know something basics of solids from books that will help you understand what you are doing. This is important, at least, it will guide you to propose a 'scientific question'. There are many books in this domain that will be helpful to you. On the point of band gap in the semiconductors or insulators, for example, you can refer to page 562 in the milestone "solid state physics' by Prof. Ashcroft and Prof. Mermin.
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