QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: vboyz on May 12, 2009, 08:54

Title: DOS did not correspond to the T(E)
Post by: vboyz on May 12, 2009, 08:54

Dear everyone：
I was very puzzled because i get the DOS and Transmission, but i found that they were not agree with.
as i attached,  for instance, the blue line of DOS has a peak at 0.5eV obviously, but it did not show a better transmission.
I did not know how could this happened!

Title: Re: DOS did not correspond to the T(E)
Post by: vboyz on May 13, 2009, 05:27

Dose anyone can tell the resons?
Dear Anders, Could you please pay attention to my questions?
Thanks!

Title: Re: DOS did not correspond to the T(E)
Post by: Anders Blom on May 13, 2009, 05:44

I'm having trouble viewing the pictures. I think they may be too large (not file size, but pixels). Can you reduce the size a bit and re-attach them, or email them to me. Also, it's better (for many reason) to use PNG pictures rather than JPG.

Title: Re: DOS did not correspond to the T(E)
Post by: Anders Blom on May 13, 2009, 13:13

I don't see any disagreement in the data, I think everything looks fine.

Except for one thing, maybe: the transmission of the pristine CNT should have integer plateaus, as you roughly have. But the "rounding" of the edges indicates that perhaps you have too short electrodes, or maybe even too small unit cell in the XY directions. Unless, that is, you simply have too few points on the black curve (fewer than for the blue and red). But it should really look like a step function, with the slanted parts.

I suggest you use 200 points or so for these plots, and check if the T(E) is really step-like for the pristine tube. But, otherwise in general, I don't see any problems.