A Huckel study of the effect of a molecular resonance cavity on the quantum conductance of an alkene wire

被引：22

作者：

Collepardo-Guevara, R

Walter, D

Neuhauser, D ^{[1
]}

Baer, R

机构：

[1] Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90095 USA

[2] Hebrew Univ Jerusalem, Inst Chem, IL-91904 Jerusalem, Israel

[3] Hebrew Univ Jerusalem, Lise Meitner Ctr Quantum Chem, IL-91904 Jerusalem, Israel

来源：

CHEMICAL PHYSICS LETTERS | 2004年 / 393卷 / 4-6期

基金：

以色列科学基金会; 美国国家科学基金会;

关键词：

D O I：

10.1016/j.cplett.2004.06.042

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

We use Huckel theory to examine interference effects on conductance of a wire when a 'lollypop' side-chain is bonded to it, acting as a resonance cavity, A clear signature of interference is found at these ballistic conducting systems, stronger in small systems. Gating effects are enhanced by the presence of the loop, where the electronic wavefunctions can experience large changes in phase. Using an 'interference index', I = mod(S, 2) + mod(L, 4), where S, L are stick and loop lengths, respectively, we conclude that interference is constructive (destructive) and conductance high (low) when I = 0,4(I = 2). (C) 2004 Elsevier B.V. All rights reserved.

引用

页码：367 / 371

页数：5

共 22 条

[1] Current-triggered vibrational excitation in single-molecule transistors [J].