A theoretical model for single-molecule incoherent scanning tunneling spectroscopy

  title={A theoretical model for single-molecule incoherent scanning tunneling spectroscopy},
  author={Hassan Raza},
  journal={Journal of Physics: Condensed Matter},
  • H. Raza
  • Published 9 March 2007
  • Physics
  • Journal of Physics: Condensed Matter
Single-molecule scanning tunneling spectroscopy (STS), with dephasing due to elastic and inelastic scattering, is of some current interest. Motivated by this, we report an extended Hückel theory (EHT)-based mean-field non-equilibrium Green’s function (NEGF) transport model with electron–phonon scattering treated within the self-consistent Born approximation (SCBA). Furthermore, a procedure based on EHT basis set modification is described. We use this model to study the effect of the temperature… 

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