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General Questions and Answers / Re: DFT-D3
« on: November 13, 2015, 02:31 »
Above link is not working now. Could you give correct link?
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General Questions and Answers / Re: Print results of deformation potential
« on: October 23, 2015, 02:02 »You can have a look at this brand new tutorial to learn more about this analysis, how to plot it and how to extract useful information:
Mobility tutorial for ATK and VNL 2015
I could not access this link now. Could you kindly let me know the new location of this tutorial?
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General Questions and Answers / Re: Left density matrix - Temperature
« on: October 17, 2015, 00:56 »
Thank you very much for this clarification.
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General Questions and Answers / Re: Left density matrix - Temperature
« on: October 15, 2015, 15:32 »
Thank you very much for your kind and immediate reply.
I hope that I understood correctly your explanation, ie., for the calculation of left and right density matrix, electrodes temperature is used. If I am wrong then please correct me. If this is the case then again mentioning different Electrode temperature of Left or Right electrodes in IV plotting is misleading. Could you explain it?
I hope that I understood correctly your explanation, ie., for the calculation of left and right density matrix, electrodes temperature is used. If I am wrong then please correct me. If this is the case then again mentioning different Electrode temperature of Left or Right electrodes in IV plotting is misleading. Could you explain it?
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General Questions and Answers / Left density matrix - Temperature
« on: October 15, 2015, 07:53 »
Hello,
In the "The non-equilibrium Green's function (NEGF) method" (https://www.quantumwise.com/documents/manuals/ATK-12.8/ReferenceManual/index.html/chap.negf.html), the left density matrix (also right) is calculated using "electron temperature T_L".
I have following two questions regarding it.
1) Which of the following is used "electron Temperature" or "Electrode temperature" (mentioned in the input script) ?
2) If Electrode temperature (mentioned in the input script) is used then while plotting IV characteristics what is the role of mentioning Electrode temperature of Left or Right?
With regards,
Mano
In the "The non-equilibrium Green's function (NEGF) method" (https://www.quantumwise.com/documents/manuals/ATK-12.8/ReferenceManual/index.html/chap.negf.html), the left density matrix (also right) is calculated using "electron temperature T_L".
I have following two questions regarding it.
1) Which of the following is used "electron Temperature" or "Electrode temperature" (mentioned in the input script) ?
2) If Electrode temperature (mentioned in the input script) is used then while plotting IV characteristics what is the role of mentioning Electrode temperature of Left or Right?
With regards,
Mano
6
General Questions and Answers / Re: Interlayer distance in Bilayer graphene
« on: September 6, 2014, 11:19 »
Dear Dr. Anders Blom,
Thank you for your immediate reply.
With regards,
Manoharan M.
Thank you for your immediate reply.
With regards,
Manoharan M.
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General Questions and Answers / Interlayer distance in Bilayer graphene
« on: September 6, 2014, 02:29 »
In quantumwise website tutorial, the experimental value of interlayer distance in bilayer graphene is given as 3.32 Ang (http://quantumwise.com/documents/tutorials/latest/Grimme/index.html/chap.graphene.html). When I checked the reference "N. N. Greenwood and A. Earnshaw, Chemistry of the elements, Pergamon, (New York), 1998." (this is updated version of 1984), I found it is 3.35 Ang. Another reference "Delhaes, P. (2001). Graphite and Precursors. CRC Press. ISBN 90-5699-228-7", also mentioned the interlayer distance is 3.35 Ang. My question is, whether I have made wrong in checking those reference or 3.32 Ang is the correct value?
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