Novel Quantum Interference Effects in Transport through Molecular Radicals

被引:62
作者
Bergfield, Justin P. [1 ]
Solomon, Gemma C. [2 ,3 ]
Stafford, Charles A. [4 ]
Ratner, Mark A. [5 ]
机构
[1] Univ Calif Irvine, Dept Chem Phys, Irvine, CA 92697 USA
[2] Univ Copenhagen, Nanosci Ctr, DK-2100 Copenhagen O, Denmark
[3] Univ Copenhagen, Dept Chem, DK-2100 Copenhagen O, Denmark
[4] Univ Arizona, Dept Phys, Tucson, AZ 85721 USA
[5] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA
基金
欧洲研究理事会;
关键词
Quantum transport; molecular radicals; DFT; many-body; Mott-node; SINGLE; CONDUCTANCE; JUNCTIONS; SYSTEMS;
D O I
10.1021/nl201042m
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
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.
引用
收藏
页码:2759 / 2764
页数:6
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