QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: [email protected] on July 14, 2016, 16:14

Title: leakage current of Au-BDT-Au junction
Post by: [email protected] on July 14, 2016, 16:14

I wish to calculate leakage current of Au-BDT-Au junction without bridging BDT molecule. Can I do this?

Title: Re: leakage current of Au-BDT-Au junction
Post by: Anders Blom on July 14, 2016, 18:54

The leakage through the vacuum? You could try to turn all atoms into ghost atoms, that might give an estimate. But probably the current is extremely low and it's hard to get accurate numbers.