Phys. Rev. B 72, 073104 (2005) [4 pages]Mechanism of a molecular electronic photoswitchReceived 25 January 2005; revised 14 April 2005; published 8 August 2005 We present a simple non-self-consistent method for the calculation of the molecular conductance under finite bias voltage. Our approach is applied to a molecular photoswitch that has recently been investigated in break junction experiments [ D. Dulić et al. Phys. Rev. Lett. 91 207402 (2003)]. We obtain I-V characteristics that are qualitatively in agreement with experimental measurements. Employing our electronic structure calculations, we provide a detailed explanation for the switching behavior observed in experiment. © 2005 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevB.72.073104
DOI:
10.1103/PhysRevB.72.073104
PACS:
73.63.−b, 71.15.Mb, 73.22.−f
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