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Details upon Transmission Spectrum Calulation from ATK-DFT package
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Topic: Details upon Transmission Spectrum Calulation from ATK-DFT package (Read 3578 times)
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Ash
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Details upon Transmission Spectrum Calulation from ATK-DFT package
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on:
May 19, 2012, 18:44 »
Hi everyone,
I want to know the physics behind the calculation of Transmission Spectrum from DFT. Please give me the details or suggest me some reference paper for the same.
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Nordland
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Re: Details upon Transmission Spectrum Calulation from ATK-DFT package
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Reply #1 on:
May 19, 2012, 19:36 »
If you want to know how the transmission spectrum is calculated, take a look in the reference manual.
http://www.quantumwise.com/documents/manuals/latest/ReferenceManual/index.html/ref.transmissionspectrum.html
There you will find the formula. If you are looking for a derivation of the formula you can find it in Datta's book:
http://www.amazon.com/Electronic-Mesoscopic-Semiconductor-Microelectronic-Engineering/dp/0521599431
If you are talking more about the NEGF used for calculating the everything that goes into the formula, the best source is:
http://prb.aps.org/abstract/PRB/v65/i16/e165401
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Ash
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Re: Details upon Transmission Spectrum Calulation from ATK-DFT package
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Reply #2 on:
May 20, 2012, 08:27 »
Thanks Norland, for providing me these many resources. However I was looking at the Manual:
http://www.quantumwise.com/documents/manuals/latest/ReferenceManual/index.html/ref.transmissionspectrum.html
but I could only find out about the calculation of current and conductance but nothing is mentioned (No formula is given) about the calculation of Transmission Spectrum itself.
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Last Edit: May 20, 2012, 08:44 by Ash
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Nordland
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Re: Details upon Transmission Spectrum Calulation from ATK-DFT package
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Reply #3 on:
May 20, 2012, 19:30 »
Okay. If you are searching for the transmission probability, I think my best direction would be Datta's textbook on this matter.
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Details upon Transmission Spectrum Calulation from ATK-DFT package