First-principles analysis of the effect of contact sites on electronic transport properties of diaminofluorene

2013 ◽  
Vol 417 ◽  
pp. 70-74 ◽  
Author(s):  
JingFen Zhao ◽  
ChuanLu Yang ◽  
MeiShan Wang ◽  
Jie Ma
Keyword(s):  
Transport Properties ◽  
Electronic Transport ◽  
First Principles ◽  
Electronic Transport Properties ◽  
Contact Sites

First principles study on the electronic transport properties of C60 and B80 molecular bridges

2014 ◽  
Vol 116 (7) ◽  
pp. 073703 ◽  
Author(s):  
X. H. Zheng ◽  
H. Hao ◽  
J. Lan ◽  
X. L. Wang ◽  
X. Q. Shi ◽  
...  
Keyword(s):  
Transport Properties ◽  
Electronic Transport ◽  
First Principles ◽  
Electronic Transport Properties ◽  
First Principles Study

First-principles study of electronic transport properties of graphene nanoribbons with pentagon-heptagon (5-7) line defects

2015 ◽  
Vol 1727 ◽  
Author(s):  
Yasutaka Nishida ◽  
Takashi Yoshida ◽  
Fumihiko Aiga ◽  
Yuichi Yamazaki ◽  
Hisao Miyazaki ◽  
...  
Keyword(s):  
Transport Properties ◽  
Electronic Transport ◽  
First Principles ◽  
Density Functional ◽  
Graphene Nanoribbons ◽  
Edge State ◽  
Line Defect ◽  
Electronic Transport Properties ◽  
Current Voltage ◽  
Line Defects

ABSTRACTIn this study, we investigated the influence of line defects consisting of pentagon-heptagon (5-7) pairs on the electronic transport properties of zigzag-edged and armchair-edged graphene nanoribbons (GNRs). Using the first-principles density functional theory, we study their electronic properties. To investigate their current-voltage (I-V) characteristics at low bias voltage (∼ 1 meV), we use the nonequilibrium Green’s function method. As a result, we found that the conductance of the GNRs having a connected line defect between source and drain shows better performance than that of the ideal zigzag-edged GNRs (ZGNRs). A detailed investigation of the transmission spectra and the wave function around the Fermi level reveals that the line defects arranged along the transport direction work similar to an edge state of the ZGNRs and can be an additional conduction channel. Our results suggest that such a line defect can be effective for low-resistance GNR interconnects.

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