Electronic and thermal properties of Biphenyl molecules

被引：18

作者：

Medina, F. G. ^{[1
]}

Ojeda, J. H. ^{[1
,2
]}

Duque, C. A. ^{[3
]}

Laroze, D. ^{[2
,4
]}

机构：

[1] Univ Pedag & Tecnol Colombia, Grp Fis Mat, Tunja, Colombia

[2] Univ Tarapaca, Inst Alta Invest, Arica, Chile

[3] Univ Antioquia UdeA, Inst Fis, Fac Ciencias Exactas & Nat, Grp Mat Condensada UdeA, Medellin, Colombia

[4] Univ Glasgow, SUPA Sch Phys & Astron, Glasgow G12 8QQ, Lanark, Scotland

来源：

SUPERLATTICES AND MICROSTRUCTURES | 2015年 / 87卷

关键词：

Thermopower; Density of states; Green's functions; SHOT-NOISE; CONDUCTANCE; JUNCTIONS; CONFORMATION; TRANSMISSION; DEPENDENCE; TRANSPORT; CURRENTS;

D O I：

10.1016/j.spmi.2015.06.017

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

Transport properties of a single Biphenyl molecule coupled to two contacts are studied. We characterise this system by a tight-binding Hamiltonian. Based on the non-equilibrium Green's functions technique with a Landauer-Bilttiker formalism the transmission probability, current and thermoelectrical power are obtained. We show that the Biphenyl molecule may have semiconductor behavior for certain values of the electrode-molecule-electrode junctions and different values of the angle between the two rings of the molecule. In addition, the density of states (DOS) is calculated to compare the bandwidths with the profile of the transmission probability. DOS allows us to explain the asymmetric shape with respect to the molecule's Fermi energy. (C) 2015 Elsevier Ltd. All rights reserved.

引用

页码：89 / 96

页数：8

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