Ontology highlight
ABSTRACT:
SUBMITTER: Liu S
PROVIDER: S-EPMC4608000 | biostudies-literature | 2015
REPOSITORIES: biostudies-literature
Liu Shuanglong S Nurbawono Argo A Zhang Chun C
Scientific reports 20151016
We present a density functional theory (DFT) for steady-state nonequilibrium quantum systems such as molecular junctions under a finite bias. Based on the steady-state nonequilibrium statistics that maps nonequilibrium to an effective equilibrium, we show that ground-state DFT (GS-DFT) is not applicable in this case and two densities, the total electron density and the density of current-carrying electrons, are needed to uniquely determine the properties of the corresponding nonequilibrium syste ...[more]