The DOI matches its Crossref record; 26 of the 26 references it cites were found in a registry or an index.
The Relation between Structure and Quantum Interference in Single Molecule Junctions
Abstract
Quantum interference (QI) of electron pathways has recently attracted increased interest as an enabling tool for single-molecule electronic devices. Although various molecular systems have been shown to exhibit QI effects and a number of methods have been proposed for its analysis, simple guidelines linking the molecular structure to QI effects in the phase-coherent transport regime have until now been lacking. In the present work we demonstrate that QI in aromatic molecules is intimately related to the topology of the molecule's π system and establish a simple graphical scheme to predict the existence of QI-induced transmission antiresonances. The generality of the scheme, which is exact for a certain class of tight-binding models, is proved by a comparison to first-principles transport calculations for 10 different configurations of anthraquinone as well as a set of cross-conjugated molecular wires.
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Cites
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Self-citationLocalized atomic basis set in the projector augmented wave method
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Metadata
- Authors
- Markussen, T., Stadler, R., & Thygesen, K. S.
- Venue
- Nano Letters
- Publisher
- American Chemical Society (ACS)
- Published
- 2010-09-29
- Volume
- 10
- Issue
- 10
- Pages
- 4260-4265
- ISSN
- 1530-6984 (ISSN-L)
- 1530-6992
- OpenAlex
- W2002340347
- Cited by
- 349
- References
- 26
- FWCI
- 16.70
- Type
- journal article
- Language
- en
- Open access
- closed
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