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On the electrostatic potential profile in biased molecular wires

2002/07/31 by Abraham Nitzan, Michael Galperin, Gert‐Ludwig Ingold +2
Engineering · Physics and Astronomy · #Molecular Junctions and Nanostructures #Quantum and electron transport phenomena #Surface and Thin Film Phenomena #cond-mat.mes-hall #physics.chem-ph

paper · pdf · doi:10.1063/1.1522406

published as J. Chem. Phys. 117, 10837 (2002) · 6 pages, 5 figures, RevTeX4

arxiv created 2002/07/31 · openalex publication_date 2002/12/02 · arxiv updated 2009/11/30 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28

Abstract

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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