Physics – Condensed Matter – Other Condensed Matter
Scientific paper
2008-07-28
Physics
Condensed Matter
Other Condensed Matter
Title, abstract, and text are adjusted to precise formulations (the original version contained a logical error)
Scientific paper
10.1103/PhysRevB.78.165109
Nanoscale optoelectronics and molecular-electronics systems operate with current injection and nonequilibrium tunneling, phenomena that challenge consistent descriptions of the steady-state transport. The current affects the electron-density variation and hence the inter- and intra-molecular bonding which in turn determines the transport magnitude. The standard approach for efficient characterization of steady-state tunneling combines ground-state density functional theory (DFT) calculations (of an effective scattering potential) with a Landauer-type formalism and ignores all actual many-body scattering. The standard method also lacks a formal variational basis. This paper formulates a Lippmann-Schwinger collision density functional theory (LSC-DFT) for tunneling transport with full electron-electron interactions. Quantum-kinetic (Dyson) equations are used for an exact reformulation that expresses the variational noninteracting and interacting many-body scattering T-matrices in terms of universal density functionals. The many-body Lippmann-Schwinger (LS) variational principle defines an implicit equation for the exact nonequilibrium density.
No associations
LandOfFree
Density-functional theory of nonequilibrium tunneling 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 Density-functional theory of nonequilibrium tunneling, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Density-functional theory of nonequilibrium tunneling will most certainly appreciate the feedback.
Profile ID: LFWR-SCP-O-37879