Non-equilibrium GW approach to quantum transport in nano-scale contacts

Details Non-equilibrium GW approach to quantum transport in nano-scale contacts Non-equilibrium GW approach to quantum transport in nano-scale contacts

2006-09-09

arxiv.org/abs/cond-mat/0609223v2

J. Chem. Phys. 126, 091101 (2007)

Physics

Condensed Matter

Materials Science

5 pages, 4 figures

Scientific paper

Correlation effects within the GW approximation have been incorporated into the Keldysh non-equilibrium transport formalism. We show that GW describes the Kondo effect and the zero-temperature transport properties of the Anderson model fairly well. Combining the GW scheme with density functional theory and a Wannier function basis set, we illustrate the impact of correlations by computing the I-V characteristics of a hydrogen molecule between two Pt chains. Our results indicate that self-consistency is fundamental for the calculated currents, but that it tends to wash out satellite structures in the spectral function.

Affiliated with

Also associated with

No associations

Rating

Non-equilibrium GW approach to quantum transport in nano-scale contacts does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Non-equilibrium GW approach to quantum transport in nano-scale contacts, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Non-equilibrium GW approach to quantum transport in nano-scale contacts will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-658298