Semiconductor/molecule transport junctions: An analytic form for the self-energies

Research output: Contribution to journalArticle

15 Citations (Scopus)

Abstract

We have derived an approximate analytic expression for the spectral density of a simple model of a semiconductor/molecule junction. The semiconductor is considered as a tight-binding one-dimensional chain with periodic boundary conditions, and either bond or site-energy alternation, to mimic a two-band system. Using the simplest representation for an atomic or molecular site we obtain a spectral density whose main physical and mathematical features are independent of the alternation pattern. Our model can be applied to the description of transport properties in many complex junctions. Here, we have explored its simplest consequences in the calculation of the transmission coefficient for a junction consisting of a semiconductor electrode, a molecular site and a metal electrode.

Original languageEnglish
Pages (from-to)197-203
Number of pages7
JournalChemical Physics
Volume326
Issue number1
DOIs
Publication statusPublished - Jul 11 2006

Fingerprint

Spectral density
alternations
Semiconductor materials
Molecules
molecules
Electrodes
electrodes
Transport properties
energy
transport properties
Metals
Boundary conditions
boundary conditions
coefficients
metals

Keywords

  • Molecular electronics
  • Semiconductor electrode
  • Spectral density

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Atomic and Molecular Physics, and Optics

Cite this

Semiconductor/molecule transport junctions : An analytic form for the self-energies. / Mujica, Vladimiro; Ratner, Mark A.

In: Chemical Physics, Vol. 326, No. 1, 11.07.2006, p. 197-203.

Research output: Contribution to journalArticle

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