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"Modeling Light-Induced Charge Transfer Dynamics Across a Metal-Molecule Junction "

Zixuan (Andrew) Hu
Northwestern University


Charge transfer dynamics across a metal-molecule junction under a static electric potential has been extensively studied [1] due to its potential applications in molecular electronics. In recent years due to the rapid development in nanoplasmonics, light control and confinement in the nanoscale are becoming increasingly applicable [2] and ideas of using light to induce charge transfer through nano-junctions have been proposed [3]. In this talk I present a theoretical model for simulating the light-induced charge dynamics across a nano-junction. The plasmonic response is calculated by the finite-difference time-domain (FDTD) method equipped with Huygens subgridding (HSG) scheme [4]. The coupling between the metal and the molecule is modeled with new ideas that convert classical fields into single electron wavefunctions. The charge dynamics on the molecular chain is then propagated quantum mechanically.

[1] A. Nitzan, M.A. Ratner, Science, 300 (2003) 1384.
[2] M. Sukharev, T. Seideman, J Phys B-at Mol Opt, 40 (2007) S283-S298; S.A. Maier, H.A. Atwater, J. Appl. Phys., 98 (2005) 011101.
[3] B.D. Fainberg, M. Jouravlev, A. Nitzan, Phys. Rev. B, 76 (2007) 245329; B.D. Fainberg, M. Sukharev, T.-H. Park, M. Galperin, Phys. Rev. B, 83 (2011) 205425.
[4] Z. Hu, M.A. Ratner, T. Seideman, J. Chem. Phys., 137 (2012) 204111.

Wednesday, May 15, 2013
IQSE 578, 10:00 a.m.
Mitchell Physics Building

Institute for Quantum Science and Engineering
Texas A&M University

(Coffee and cookies to be served 15 minutes before start time)

Host: Marlan Scully