Single molecule bridge as a testing ground for using NGF outside of the steady current regime

0341564 - FZÚ 2011 RIV NL eng J - Journal Article
Velický, B. - Kalvová, Anděla - Špička, Václav
Single molecule bridge as a testing ground for using NGF outside of the steady current regime.
Physica E: Low-Dimensional Systems and Nanostructures. Roč. 42, č. 3 (2010), s. 539-549. ISSN 1386-9477. E-ISSN 1873-1759
R&D Projects: GA ČR GA202/08/0361
Institutional research plan: CEZ:AV0Z10100520; CEZ:AV0Z10100521
Keywords : NGF * initial conditions * orrelations * transients * molecular bridge
Subject RIV: BM - Solid Matter Physics ; Magnetism
Impact factor: 1.304, year: 2010

The simplest nanoscopic system, a molecular bridge consisting of a molecular island with one or few electronic or vibronic levels coupled to non-interacting leads can be treated using non-equilibrium Green's function (NGF). We follow the well known procedure of Jauho, Wingreen and Meir (JWM). In the present work, we concentrate on the litle investigated transient behavior of the molecular bridge undergoing abrupt changes. The transient process depends on the initial conditions at a finite time which may incorporate initial correlations. As an example, we study the electron response to sudden connecting the molecule to one or both leads. We obtain a complete solution for the transient NGF for arbitrary "initial correlations" represented by off-diagonal coherences between the initial electron state of the island and of the leads.
Permanent Link: http://hdl.handle.net/11104/0184504