QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: jiguomin on February 16, 2011, 05:30

Title: the question about coherent electron transport scheme and the Phonon-assisted e
Post by: jiguomin on February 16, 2011, 05:30

In a molecular device composed by metal electrode-single molecule-metal electrode, I investagate the electronic transport properties within the voltage range (-3, 3V) by applying ATK, and especially address the NDR at relatively high voltage.Reviewer commented on the paper and said that one should be very careful that the coherent electron transport scheme is only applicable to the low-voltage regime (usually not beyond 1 V). Phonon-assisted electron transport may be dominant at high voltages (see for instance, J. Phys.: Condens. Matter 19 103201). I want to know how to make a response ?

Title: Re: the question about coherent electron transport scheme and the Phonon-assisted e
Post by: kstokbro on February 23, 2011, 23:10

You may check out the litterature on inelastic calculations, typically the inelastic part of the current is a few percent of the elastic current even at these high voltages.
Thus, there will be an inelastic current, but it will be small and it is probably more important to understand the exact geometry to get the I-V characteristics correct