摘要
在紧束缚近似下,利用转移矩阵法对“金属/C2H2/金属”结构的分子导线的电子输运性质进行了研究。通过转移矩阵法求出转移矩阵和散射矩阵,从而解析地得到体系的透射系数和态密度的变化,并详细分析了透射系数对C2H2与金属的耦合强度及两个(CH)间的耦合强度的依赖关系。我们的结果显示这种结构的分子导线有着较好的开关特性。
The electronic transmission through the molecular wire, metal/C2H2/metal, is studied using a tight-binding model and the transfer-matrix technique. The electronic transmission coefficient and the change of electronic density of states in the wire axe analytically calculated from the scattering matrix with the help of the transfer-matrix. The dependence on the electronic transmission of the energy parameter and the metalmolecule coupling, and molecule site-energy and atom-atom coupling within the molecule axe analyzed in detail. Our results show such molecular wire have switching character.
出处
《原子与分子物理学报》
CAS
CSCD
北大核心
2005年第4期590-596,共7页
Journal of Atomic and Molecular Physics
基金
:Keysubjectfosteredbyzhejiangprovinglce
关键词
透射系数
散射矩阵
转移矩阵法
分子导线
Transmission coefficient, Scattering matrix, Transfer-matrix technique, Molecular wire
