Ambipolar transition voltage spectroscopy: Analytical results and experimental agreement

Ioan Bâldea
Phys. Rev. B 85, 035442 – Published 25 January 2012

Abstract

This work emphasizes that the transition voltages Vt± for both bias polarities (V 0) should be used to properly determine the energy offset ɛ0 of the molecular orbital closest to electrodes’ Fermi level and the bias asymmetry γ in molecular junctions. Accurate analytical formulas are deduced to estimate ɛ0 and γ solely in terms of Vt±. These estimates are validated against experiments, by showing that full experimental I-V curves measured by Beebe et al. [Phys. Rev. Lett. 97, 026801 (2006)] and Tan et al. [Appl. Phsy. Lett. 96, 013110 (2010)] for both bias polarities can be excellently reproduced.

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  • Received 2 November 2011

DOI:https://doi.org/10.1103/PhysRevB.85.035442

©2012 American Physical Society

Authors & Affiliations

Ioan Bâldea*

  • Theoretische Chemie, Universität Heidelberg, Im Neuenheimer Feld 229, D-69120 Heidelberg, Germany

  • *Also at NILPR, ISS, POB MG-23, RO 077125, Bucharest, Romania.

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Issue

Vol. 85, Iss. 3 — 15 January 2012

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