[Wien] reg: DOS at fermi level
bobli rekharam
swetarekharam at gmail.com
Sun Nov 13 13:34:51 CET 2011
>
> I have a small doubt on DOS at Fermi level. I want the value of N(E_F) for my compound.
> According to my idea, we will get this value form case.dos1ev file.
> But the total DOS in this file is DOS due to the atoms and also due to interstitial region.
> So how can I get the DOS value on the Fermi level only due to atoms not from the interstitial region.
> So to subtract the contribution of DOS due to interstitial region from the total DOS, What I have to do?
Actually what I understood that I am writing here
Here I am writing more details of my doubt.
My system is AB3 type and it is a superconductor.
A has mutiplicity one and
B has a multiplicity 3
So from the total DOS I am getting N(E_F) values = 2.41 states/eV
If I am adding the values of total A and total B, I am getting value
1.59 states/eV
So the total atomic DOS is vary less than the total DOS. And here I
conclude that nearly 0.8 states/eV was due to interstitial.
But when I will plot the total DOS graph, it will show the DOS value
2.41 states/eV.
SO if I want to report the DOS value which value should I write?
If I will calculate the Sommerfeld coefficient (γ mJ/(mol K**2)),
which DOS value should I consider ??
Here I am confused.
>
> Can any one please tell me this ??????
>
>
> --
> Swetarekha Ram,
> Research Scholar,
--
Swetarekha Ram,
Research Scholar,
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