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General Questions and Answers / Re: k_resolved_transmission coefficient of 13.8
« on: March 5, 2015, 08:27 »
I know how to export the data now. Just do it in vnl.
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2
General Questions and Answers / Re: k_resolved_transmission coefficient of 13.8
« on: March 5, 2015, 02:16 »
Thanks in advanceI But i want to export the data to plot by myself. How can i do?
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General Questions and Answers / k_resolved_transmission coefficient of 13.8
« on: March 4, 2015, 15:33 »
Hi, I am a user of ATK 13.8. Can you do me a help about exporting the k_resolved_transmission coefficient of a two-probe system from self-consistent file? Do you provide a python script?
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General Questions and Answers / Re: about the conductance
« on: January 20, 2015, 04:25 »
Thank you for your suggestion!
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General Questions and Answers / Re: about the conductance
« on: January 19, 2015, 15:29 »
I just came up with a strange point in my calculation of Au-ZnO-Au junctions. I found although the dependance of conductance on thickness of ZnO is u-like, the current of Au-ZnO-Au junctions under small bias voltage monotonously decreases with the thickness of ZnO. Is it normal? Would you please explain how it
happens?
happens?
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General Questions and Answers / Re: about the conductance
« on: January 19, 2015, 13:03 »
Thank you for your reply! What about the version before
11.8 (Actually 08 version)? I am a owner of the 13.8 version, but I am used to use 08 version to keep consistent. Hope for your replay!
11.8 (Actually 08 version)? I am a owner of the 13.8 version, but I am used to use 08 version to keep consistent. Hope for your replay!
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General Questions and Answers / Re: about the conductance
« on: January 19, 2015, 12:20 »
You mean that the thermionic emission is a new feature of the latest ATK version, and is not included in the former version?
Another question is that you don't apply about my first question in my post. Please check! Thanks in advance!
Another question is that you don't apply about my first question in my post. Please check! Thanks in advance!
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General Questions and Answers / about the conductance
« on: January 19, 2015, 09:14 »
Hi!
I encountered a question that I don't understand. I calcalated the conductance of Au-ZnO-Au tunnel junctions with varying ZnO thickness. The result is that the dependence of conductance on thickness is u-like (that is to see, with increasing thickness, the conductance decreases first and then increases). Can you explain this?
Second question: Is the current calculated by ATK is only the contribution of direct tunneling , or it contains the contribution of thermionic injection?
Thanks in advance!
I encountered a question that I don't understand. I calcalated the conductance of Au-ZnO-Au tunnel junctions with varying ZnO thickness. The result is that the dependence of conductance on thickness is u-like (that is to see, with increasing thickness, the conductance decreases first and then increases). Can you explain this?
Second question: Is the current calculated by ATK is only the contribution of direct tunneling , or it contains the contribution of thermionic injection?
Thanks in advance!
9
General Questions and Answers / Re: IV curve nan (not a number)
« on: July 29, 2014, 04:32 »
The forum staff think this result from the wrong geometry of two-probe system (that is the electrodes don't recover their bulk properties). But i haven't prove it. After i have done this, i will put my conclusion here.
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General Questions and Answers / Re: IV curve nan (not a number)
« on: July 24, 2014, 02:40 »Screenshots/plots would help, of the transmission and where the current is shown as NaN. Also, an idea of your system, ideally the scripts (by mail if secret).i give you the screenshot of I-V curve in the vnl analyzer. Two scripts will be emailed to you. one is used to abtain scf results, and the other one is used to obtain transmission spectrum.
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General Questions and Answers / Re: IV curve nan (not a number)
« on: July 22, 2014, 08:36 »More info needed. At the voltage giving problem, what does the transmission spectrum look like? Did all calculations converge? How do you compute the current (which tool - a VNL tool or a script)?The voltage range is -1 to 1 V, several votages give the problem. Even several voltage do give the current, the current is extremly small (about 1e-20 A). I used a loop to abtain the scf result, then a script is employed to compute the transmission spectrum. With the "IV analyzer" in vnl, the current is calculated. Surprising, I don't get the curve of transmission spectrum in the "IV analyzer". I turned to check the scf nc file, only a Warning -"The provided initial state parameter has no pre-calculated data.Proceeding without setting an initial state." -was found.
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General Questions and Answers / Re: IV curve nan (not a number)
« on: July 22, 2014, 02:36 »
no offical reply?
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General Questions and Answers / IV curve nan (not a number)
« on: July 18, 2014, 04:25 »
I calculated the IV curve of a two-probe system with voltage ranging from -1V to 1V and found that the current at some voltage is nan (not a number). THe process is obtaining the scf nc files first, then computing the transmission spectrum and finally using the result analysis to get the IV curve. Can you tell me what's the problem?
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General Questions and Answers / Re: voltage drop
« on: July 18, 2014, 04:19 »
You are right. Thanks!
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General Questions and Answers / Re: voltage drop
« on: July 8, 2014, 03:36 »Unfortunately you cannot do it with the current release.But i see the example in your tutorial is exhibite with unit V? Do you mean that i have to write the python scripts to convert the unit?
We will consider to implement this option in the future though.
Consider studying how to handle 3d-grids with these examples:
http://www.quantumwise.com/documents/manuals/latest/ReferenceManual/index.html/ref.electrondifferencedensity.html
http://www.quantumwise.com/documents/manuals/latest/ReferenceManual/index.html/ref.electrostaticdifferencepotential.html