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- W2912493756 abstract "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 Huckel 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 dependent dephasing, due to low lying modes in far-infrared range for which hw<<kT, on the resonant conduction through highest occupied molecular orbital (HOMO) level of a phenyl dithiol molecule sandwiched between two fcc-Au(111) contacts. Furthermore, we propose to include dephasing in room temperature molecular resonant conduction calculations." @default.
- W2912493756 created "2019-02-21" @default.
- W2912493756 creator A5031416495 @default.
- W2912493756 date "2007-03-09" @default.
- W2912493756 modified "2023-09-27" @default.
- W2912493756 title "An EHT based model for Single Molecule Incoherent Resonant Scanning Tunneling Spectroscopy" @default.
- W2912493756 hasPublicationYear "2007" @default.
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