Inelastic scattering and local heating in atomic gold wires

被引：196

作者：

Frederiksen, T

Brandbyge, M

Lorente, N

Jauho, AP

机构：

[1] Tech Univ Denmark, MIC Dept Micro & Nanotechnol, DK-2800 Lyngby, Denmark

[2] Univ Toulouse 3, IRSAMC, Lab Collis Agregats React, F-31062 Toulouse, France

来源：

PHYSICAL REVIEW LETTERS | 2004年 / 93卷 / 25期

关键词：

D O I：

10.1103/PhysRevLett.93.256601

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We present a method for including inelastic scattering in a first-principles density-functional computational scheme for molecular electronics. As an application, we study two geometries of four-atom gold wires corresponding to two different values of strain and present results for nonlinear differential conductance vs device bias. Our theory is in quantitative agreement with experimental results and explains the experimentally observed mode selectivity. We also identify the signatures of phonon heating.

引用

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页码：256601 / 1

页数：4

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