A Hückel study of the effect of a molecular resonance cavity on the quantum conductance of an alkene wire

Rosana Collepardo-Guevara; Derek Walter; Daniel Neuhauser; Roi Baer

doi:10.1016/j.cplett.2004.06.042

A Hückel study of the effect of a molecular resonance cavity on the quantum conductance of an alkene wire

Rosana Collepardo-Guevara
, Derek Walter
, Daniel Neuhauser
, Roi Baer^*

^*Corresponding author for this work

Institute of Chemistry

Research output: Contribution to journal › Article › peer-review

26 Scopus citations

Abstract

We use Hückel theory to examine interference effects on conductance of a wire when a 'lollypop' side-chain is bonded to it, acting as a resonance cavity. A clear signature of interference is found at these ballistic conducting systems, stronger in small systems. Gating effects are enhanced by the presence of the loop, where the electronic wavefunctions can experience large changes in phase. Using an 'interference index', I=mod(S,2)+mod(L,4), where S,L are stick and loop lengths, respectively, we conclude that interference is constructive (destructive) and conductance high (low) when I=0,4(I=2).

Original language	English
Pages (from-to)	367-371
Number of pages	5
Journal	Chemical Physics Letters
Volume	393
Issue number	4-6
DOIs	https://doi.org/10.1016/j.cplett.2004.06.042
State	Published - 1 Aug 2004

Bibliographical note

Funding Information:
The authors acknowledge gratefully the support of the PRF, NSF and the Israel Science Foundation.

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title = "A H{\"u}ckel study of the effect of a molecular resonance cavity on the quantum conductance of an alkene wire",

abstract = "We use H{\"u}ckel theory to examine interference effects on conductance of a wire when a 'lollypop' side-chain is bonded to it, acting as a resonance cavity. A clear signature of interference is found at these ballistic conducting systems, stronger in small systems. Gating effects are enhanced by the presence of the loop, where the electronic wavefunctions can experience large changes in phase. Using an 'interference index', I=mod(S,2)+mod(L,4), where S,L are stick and loop lengths, respectively, we conclude that interference is constructive (destructive) and conductance high (low) when I=0,4(I=2).",

author = "Rosana Collepardo-Guevara and Derek Walter and Daniel Neuhauser and Roi Baer",

note = "Funding Information: The authors acknowledge gratefully the support of the PRF, NSF and the Israel Science Foundation.",

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T1 - A Hückel study of the effect of a molecular resonance cavity on the quantum conductance of an alkene wire

AU - Collepardo-Guevara, Rosana

AU - Walter, Derek

AU - Neuhauser, Daniel

AU - Baer, Roi

N1 - Funding Information: The authors acknowledge gratefully the support of the PRF, NSF and the Israel Science Foundation.

PY - 2004/8/1

Y1 - 2004/8/1

N2 - We use Hückel theory to examine interference effects on conductance of a wire when a 'lollypop' side-chain is bonded to it, acting as a resonance cavity. A clear signature of interference is found at these ballistic conducting systems, stronger in small systems. Gating effects are enhanced by the presence of the loop, where the electronic wavefunctions can experience large changes in phase. Using an 'interference index', I=mod(S,2)+mod(L,4), where S,L are stick and loop lengths, respectively, we conclude that interference is constructive (destructive) and conductance high (low) when I=0,4(I=2).

AB - We use Hückel theory to examine interference effects on conductance of a wire when a 'lollypop' side-chain is bonded to it, acting as a resonance cavity. A clear signature of interference is found at these ballistic conducting systems, stronger in small systems. Gating effects are enhanced by the presence of the loop, where the electronic wavefunctions can experience large changes in phase. Using an 'interference index', I=mod(S,2)+mod(L,4), where S,L are stick and loop lengths, respectively, we conclude that interference is constructive (destructive) and conductance high (low) when I=0,4(I=2).

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JO - Chemical Physics Letters

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A Hückel study of the effect of a molecular resonance cavity on the quantum conductance of an alkene wire

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