Current-driven conformational changes, charging, and negative differential resistance in molecular wires

被引:61
作者
Emberly, EG
Kirczenow, G
机构
[1] NEC Res Inst, Princeton, NJ 08536 USA
[2] Simon Fraser Univ, Dept Phys, Burnaby, BC V5A 1S6, Canada
关键词
D O I
10.1103/PhysRevB.64.125318
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
We introduce a theoretical approach based on scattering theory and total energy methods that treats transport nonlinearities, conformational changes, and charging effects in molecular wires in a unified way. We apply this approach to molecular wires consisting of chain molecules with different electronic and structural properties bonded to metal contacts. We show that nonlinear transport in all of these systems can be understood in terms of a single physical mechanism, and predict that negative differential resistance at high bias should be a generic property of such molecular wires.
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页数:5
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