Ab initio modeling of open systems:: Charge transfer, electron conduction, and molecular switching of a C60 device -: art. no. 121104

被引:1423
作者
Taylor, J [1 ]
Guo, H
Wang, J
机构
[1] McGill Univ, Ctr Phys Mat, Montreal, PQ H3A 2T8, Canada
[2] McGill Univ, Dept Phys, Montreal, PQ H3A 2T8, Canada
[3] Univ Hong Kong, Dept Phys, Hong Kong, Hong Kong, Peoples R China
关键词
D O I
10.1103/PhysRevB.63.121104
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
We present an ab initio analysis of electron conduction through a C-60 molecular device. Charge transfer from the device electrodes to the molecular region is found to play a crucial role in aligning the lowest unoccupied molecular orbital of the C-60 to the Fermi level of the electrodes. This alignment induces a substantial device conductance of similar to2.2X(2e(2)/h). A gate potential can inhibit charge transfer, and introduce a conductance gap near E-F, changing the current-voltage characteristics from metallic to semiconducting, thereby producing a field-effect molecular current switch.
引用
收藏
页数:4
相关论文
共 36 条