Theoretical study of carotene as a molecular wire

被引：34

作者：

Li, J ^{[1
]}

Tomfohr, JK ^{[1
]}

Sankey, OF ^{[1
]}

机构：

[1] Arizona State Univ, Dept Phys & Astron, Tempe, AZ 85287 USA

来源：

PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES | 2003年 / 19卷 / 1-2期

关键词：

molecular electronics; carotene; complex band; I-V characteristics;

D O I：

10.1016/S1386-9477(03)00299-6

中图分类号：

TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

Carotenoid molecules have important photo-chemical properties and may serve as molecular wires in a molecular electronic circuit. We have theoretically studied the intrinsic conducting properties of sulfur-terminated carotene between gold contacts using local orbital density functional theory. The dependence of the tunneling decay parameter "beta" on the degree of single-double bond alternation within the polyene backbone is determined from the polyene complex band-structure. The electron tunneling current-voltage characteristics is calculated using the Landauer-Buttiker formalism. The calculations are in qualitative agreement with experiments. (C) 2003 Elsevier B.V. All rights reserved.

引用

页码：133 / 138

页数：6

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