Structural and electronic transport properties of a SiC chain encapsulated inside a SiC nanotube: first-principles study

2019 ◽  
Vol 21 (46) ◽  
pp. 25548-25557
Author(s):  
Yi Mu ◽  
Cai Cheng ◽  
Cui-E Hu ◽  
Xiao-Lin Zhou
Keyword(s):  
Silicon Carbide ◽  
Transport Properties ◽  
Electronic Transport ◽  
First Principles ◽  
Hybrid Nanostructure ◽  
Nanoelectronic Devices ◽  
Electronic Transport Properties ◽  
Silicon Carbide Nanotubes ◽  
Potential Applications ◽  
Sic Nanotube

Silicon carbide (SiC) chains and silicon carbide nanotubes (SiCNTs) have potential applications in more controllable nanoelectronic devices. Here a new hybrid nanostructure with encapsulation of a SiC chain inside a SiCNT is designed and studied.

Electronic Transport Properties of Single-Walled Zigzag Silicon Carbide Nanotubes with Antisite Defects

2011 ◽  
Vol 403-408 ◽  
pp. 1130-1134
Author(s):  
Jiu Xu Song ◽  
Hong Xia Liu
Keyword(s):  
Silicon Carbide ◽  
Transport Properties ◽  
Electronic Transport ◽  
Density Functional ◽  
Exponential Relationship ◽  
Functional Theory ◽  
Electronic Transport Properties ◽  
Silicon Carbide Nanotubes ◽  
Silicon Carbide Nanotube ◽  
Antisite Defects

The electronic transport properties are the basis for investigations on silicon carbide nanotube (SiCNT), which are suitable to develop novel nanometer electronic devices. The electronic transport properties of Single-Walled (8, 0) SiCNTs with antisite defects are investigated with the method combined Non-Equilibrium Green’s function with density functional theory. Results show that the similarity on electronic transport properties of the nanotube with different defects is high. Under a bias value greater than 1.0 V, a nearly exponential relationship between the bias and the current is achieved, which originates from more orbital participating in its transport properties caused by the increase of the bias.

Electronic transport properties of silicon carbide molecular junctions: first-principles study

RSC Advances ◽  
2016 ◽  
Vol 6 (94) ◽  
pp. 91453-91462 ◽  
Author(s):  
Yi Mu ◽  
Zhao-Yi Zeng ◽  
Yan Cheng ◽  
Xiang-Rong Chen
Keyword(s):  
Density Functional Theory ◽  
Silicon Carbide ◽  
Transport Properties ◽  
Electronic Transport ◽  
First Principles ◽  
Density Functional ◽  
Function Method ◽  
Functional Theory ◽  
Electronic Transport Properties ◽  
Non Equilibrium Green’S Function

The contact geometry and electronic transport properties of a silicon carbide (SiC) molecule coupled with Au (1 0 0) electrodes are investigated by performing density functional theory plus the non-equilibrium Green's function method.

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.

Sign in / Sign up

Export Citation Format

Share Document