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

Research output: Contribution to journalArticlepeer-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 languageAmerican English
Pages (from-to)367-371
Number of pages5
JournalChemical Physics Letters
Volume393
Issue number4-6
DOIs
StatePublished - 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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