Messages

1

General Questions and Answers / Re: IV-Voltage Drop

« on: March 16, 2010, 17:03 »

The opposite sign of voltage has the nearly same effect.

Current flow is from left to right and very small. Tunnelingspectrum shows me minima around fermi energy of ~10^-15 which is somehow correct compared to experimental results.

I will try to use more surface layers.

2

General Questions and Answers / Re: IV-Voltage Drop

« on: March 4, 2010, 20:47 »

It is coordinate in Bohr. y-axis in Rydberg.
The electrode length is about 5.5Angstrom.

3

General Questions and Answers / IV-Voltage Drop

« on: March 4, 2010, 15:39 »

Hello,

I do have a question regarding voltage drops and atomic configurations. Basically it is an SiO2 type structure with n doped leads. I calculated the voltage drop and see what is depicted in the attachment. The calculation is done with densitymatrix and equivalent bulk initial density. I am a little bit confused, because the voltage drop is ok for the left lead and the dielectric. But at the right lead I see a huge drop which should not be there because of metallic like leads due to high doping.
The structure is like:
n-Si|n-Si|SiO2|n-Si|n-Si
Does somebody have an explanation to this and maybe a solution? Do I have to use larger screening layers or electrodes?

Regards,
K.

4

General Questions and Answers / Re: ATKError: Species not found

« on: July 3, 2009, 09:33 »

Hi,
that was the solution, thank you.

Regards

5

General Questions and Answers / ATKError: Species not found

« on: July 1, 2009, 13:29 »

Hi all,

I want to do a two-probe calculation with and si/sio2 system. I have used the vnl2.0 Tool to create the input file for the atk calculation. The atom coordinates has been done manually. For tunneling spectrum I inserted a phosphorus atom into the si electrode layer. After the self-consistent loop I get an error:
>>>>
Traceback (most recent call last):
  File "<string>", line 268, in ?
ATKError: # SpeciesContainer::attributes(Atom const & at) : species not found.
<<<<
I have tried to search this error in the manual, but I was not successful. And I do not know what the error should tell me, because the sc-loop is running. Has somebody the same error and could give me a hint?

Regards,
k.