Electronic correlation in nanoscale junctions: Comparison of the GW approximation to a numerically exact solution of the single-impurity Anderson model

Details Electronic correlation in nanoscale junctions: Comparison of the GW approximation to a numerically exact solution of the single-impurity Anderson model Electronic correlation in nanoscale junctions: Comparison of the GW approximation to a numerically exact solution of the single-impurity Anderson model

2007-10-16

arxiv.org/abs/0710.3153v2

Phys. Rev. B 77, 045119 (2008)

Physics

Condensed Matter

Materials Science

11 pages, 10 figures

Scientific paper

10.1103/PhysRevB.77.045119

The impact of electronic correlation in nanoscale junctions, e.g. formed by single molecules, is analyzed using the single-impurity Anderson model. Numerically exact Quantum Monte Carlo calculations are performed to map out the orbital filling, linear response conductance and spectral function as a function of the Coulomb interaction strength and the impurity level position. These numerical results form a benchmark against which approximate, but more broadly applicable, approaches to include electronic correlation in transport can be compared. As an example, the self consistent GW approximation has been implemented for the Anderson model and the results compared to this benchmark. For weak coupling or for level positions such that the impurity is either nearly empty or nearly full, the GW approximation is found to be accurate. However, for intermediate or strong coupling, the GW approximation does not properly represent the impact of spin or charge fluctuations. Neither the spectral function nor the linear response conductance are accurately given across the Coulomb blockade plateau and well into the mixed valence regimes.

Affiliated with

Also associated with

No associations

Rating

Electronic correlation in nanoscale junctions: Comparison of the GW approximation to a numerically exact solution of the single-impurity Anderson model 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 Electronic correlation in nanoscale junctions: Comparison of the GW approximation to a numerically exact solution of the single-impurity Anderson model, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Electronic correlation in nanoscale junctions: Comparison of the GW approximation to a numerically exact solution of the single-impurity Anderson model will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-714676