Transport in nanoscale systems: the microcanonical versus grand-canonical picture

被引:110
作者
Di Ventra, M [1 ]
Todorov, TN
机构
[1] Univ Calif San Diego, Dept Phys, La Jolla, CA 92093 USA
[2] Queens Univ Belfast, Sch Math & Phys, Belfast BT7 1NN, Antrim, North Ireland
关键词
D O I
10.1088/0953-8984/16/45/024
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
We analyse a picture of transport in which two large but finite charged electrodes discharge across a nanoscale junction. We identify a functional whose minimization, within the space of all bound many-body wavefunctions, defines an instantaneous steady state. We also discuss factors that favour the onset of steady-state conduction in such systems, make a connection with the notion of entropy, and suggest a novel source of steady-state noise. Finally, we prove that the true many-body total current in this closed system is given exactly by the one-electron total current, obtained from time-dependent density-functional theory.
引用
收藏
页码:8025 / 8034
页数:10
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