QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: Quhe on March 4, 2013, 08:38

Title: charge redistribution between lead and middle parts
Post by: Quhe on March 4, 2013, 08:38

hello， everyone！
someone tells me that：
The NEGF formalism implemented in ATK package actually does not take into account the charge redistribution between resistive region in the middle and lead parts in the left and right sectors of the system because the lead Hamiltonian is just put into the self energy of the formalism as it is.

Is this statement right？ Is there any method to improve?

Looking forward to hearing from you ;)
have a good day!!

Title: Re: charge redistribution between lead and middle parts
Post by: Anders Blom on March 4, 2013, 09:48

No, the statement is not correct. Due to the open boundary condition electrons can flow and out of the central region, from the leads which act as electron reservoirs.