On the electrostatic potential profile in biased molecular wires

Details On the electrostatic potential profile in biased molecular wires On the electrostatic potential profile in biased molecular wires

2002-07-31

arxiv.org/abs/physics/0207124v1

J. Chem. Phys. 117, 10837 (2002)

Physics

Chemical Physics

6 pages, 5 figures, RevTeX4

Scientific paper

10.1063/1.1522406

The potential profile across a biased molecular junction is calculated within the framework of a simple Thomas-Fermi type screening model. In particular, the relationship between this profile and the lateral molecular cross section is examined. We find that a transition from a linear potential profile to a potential that drops mainly near the molecule-metal contacts occurs with increasing cross section width, in agreement with numerical quantum calculations.

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