A quasimolecular approach to the field-effect molecular transistor: Theory and application

Y. L. Zhao, T. C. Allison, V. Mujica, M. Marquez, C. Gonzalez

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

We report on a theoretical extension and computational implementation of a DFT-based quasimolecular approach to the description of molecular conductance, with consideration of gating effects in both metal - molecule and semiconductor - molecule junctions in a transistor-like device. A significant increase in the conductance at low bias has been found in the presence of a gate voltage. The origin of this transistor-diode behavior may be traced to a field-effect shift of a molecular frontier orbital.

Original languageEnglish
Title of host publication2007 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2007, Technical Proceedings
Pages559-561
Number of pages3
Publication statusPublished - Aug 24 2007
Event2007 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2007 - Santa Clara, CA, United States
Duration: May 20 2007May 24 2007

Publication series

Name2007 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2007, Technical Proceedings
Volume1

Other

Other2007 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2007
CountryUnited States
CitySanta Clara, CA
Period5/20/075/24/07

Keywords

  • Ab initio
  • Computer modeling
  • Field-effect
  • Gating
  • Green's-function
  • Molecular conductance

ASJC Scopus subject areas

  • Mechanical Engineering

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  • Cite this

    Zhao, Y. L., Allison, T. C., Mujica, V., Marquez, M., & Gonzalez, C. (2007). A quasimolecular approach to the field-effect molecular transistor: Theory and application. In 2007 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2007, Technical Proceedings (pp. 559-561). (2007 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2007, Technical Proceedings; Vol. 1).