Understanding the mechanism of wave functions Interference in the benzene molecule with the help of electron occupation number

Document Type : Research Paper

Authors

univercity of shahreh kord

Abstract

 In this paper, we investigate the electronic conductance and occupation number of a benzene molecule which is connected to two simple metallic leads via ortho, meta, and para connections. We study the effect of some factors such as the position of lead connections, the dimerization strength and applied voltage on behavior of electronic occupation number for different electron paths. The calculation reveals the high sensitivity of the occupation number on these factors. The average value of occupation number for two electron paths in benzene molecule shows that the path with more number of double bond contributes more in determination of the conductance behavior.

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References

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History

  • Receive Date: 14 March 2015
  • Revise Date: 08 August 2015
  • Accept Date: 07 March 2016

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