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
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
收藏
页码:256601 / 1
页数:4
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