Novel quantum interference effects in transport through molecular radicals

Justin P. Bergfield; Gemma C. Solomon; Charles A. Stafford; Mark A. Ratner

doi:10.1021/nl201042m

Novel quantum interference effects in transport through molecular radicals

Justin P. Bergfield, Gemma C. Solomon, Charles A. Stafford, Mark A. Ratner

Physics

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

64 Scopus citations

Abstract

We investigate electronic transport through molecular radicals and predict a correlation-induced transmission node arising from destructive interference between transport contributions from different charge states of the molecule. This quantum interference effect has no single-particle analog and cannot be described by effective single-particle theories. Large errors in the thermoelectric properties and nonlinear current-voltage response of molecular radical junctions are introduced when the complementary wave and particle aspects of the electron are not properly treated. A method to accurately calculate the low-energy transport through a radical-based junction using an Anderson model is given.

Original language	English (US)
Pages (from-to)	2759-2764
Number of pages	6
Journal	Nano Letters
Volume	11
Issue number	7
DOIs	https://doi.org/10.1021/nl201042m
State	Published - Jul 13 2011

Keywords

DFT
Mott-node
Quantum transport
many-body
molecular radicals

ASJC Scopus subject areas

Bioengineering
General Chemistry
General Materials Science
Condensed Matter Physics
Mechanical Engineering

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10.1021/nl201042m

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abstract = "We investigate electronic transport through molecular radicals and predict a correlation-induced transmission node arising from destructive interference between transport contributions from different charge states of the molecule. This quantum interference effect has no single-particle analog and cannot be described by effective single-particle theories. Large errors in the thermoelectric properties and nonlinear current-voltage response of molecular radical junctions are introduced when the complementary wave and particle aspects of the electron are not properly treated. A method to accurately calculate the low-energy transport through a radical-based junction using an Anderson model is given.",

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AU - Solomon, Gemma C.

AU - Stafford, Charles A.

AU - Ratner, Mark A.

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Y1 - 2011/7/13

N2 - We investigate electronic transport through molecular radicals and predict a correlation-induced transmission node arising from destructive interference between transport contributions from different charge states of the molecule. This quantum interference effect has no single-particle analog and cannot be described by effective single-particle theories. Large errors in the thermoelectric properties and nonlinear current-voltage response of molecular radical junctions are introduced when the complementary wave and particle aspects of the electron are not properly treated. A method to accurately calculate the low-energy transport through a radical-based junction using an Anderson model is given.

AB - We investigate electronic transport through molecular radicals and predict a correlation-induced transmission node arising from destructive interference between transport contributions from different charge states of the molecule. This quantum interference effect has no single-particle analog and cannot be described by effective single-particle theories. Large errors in the thermoelectric properties and nonlinear current-voltage response of molecular radical junctions are introduced when the complementary wave and particle aspects of the electron are not properly treated. A method to accurately calculate the low-energy transport through a radical-based junction using an Anderson model is given.

KW - DFT

KW - Mott-node

KW - Quantum transport

KW - many-body

KW - molecular radicals

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Novel quantum interference effects in transport through molecular radicals

Abstract

Keywords

ASJC Scopus subject areas

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