scholarly journals Design of boron vacancy enhanced spin filtering graphene/BN zigzag nanoribbon heterojunctions

RSC Advances ◽  
2017 ◽  
Vol 7 (12) ◽  
pp. 7368-7374 ◽  
Author(s):  
Xiaohui Jiang ◽  
Dongqing Zou ◽  
Bin Cui ◽  
Changfeng Fang ◽  
Wen Liu ◽  
...  

The spin-polarized electronic transport properties of zigzag graphene nanoribbons (ZGNRs) and boron nitride nanoribbons (ZBNNRs) heterojunctions with a boron vacancy are investigated under an external electric field.

2018 ◽  
Vol 28 (3) ◽  
pp. 201 ◽  
Author(s):  
Tien Thanh Nguyen ◽  
Hoc Thai Bui ◽  
Ut Van Nguyen ◽  
Tuan Le

Influences of the symmetric Stone-Wales (SW) defect on the electronic transport properties of the zigzag graphene nanoribbons (ZGNRs) has been studied using $\it{ab}$ $\it{ initio}$ simulation based on density functional theory (DFT) combined with non-equilibrium Green's function (NEGF) technique. The calculated transmission spectra T(E) at various bias windows, device densities of states (DDOS), current characteristics as well as local density of states (LDOS) of the defective asymmetric and symmetric ZGNRs are presented in comparison of those for the pristine ZGNRs. It has been established the metallic character of the electronic transport in asymmetric ZGNRs, and in symmetric ones, the current has a semiconductor behavior, with negative differential resistance (NDR) effect. Symmetric SW defect, as a most unfavorable SW defect type for electric conductance, remarkably decreases the current values, but does not change the character of conductivity in both the asymmetric and symmetric ZGNRs. NDR has been explained by the altering by SW defect the number of frontier molecular orbitals entering bias windows.


RSC Advances ◽  
2016 ◽  
Vol 6 (61) ◽  
pp. 56429-56434 ◽  
Author(s):  
Xiaohui Jiang ◽  
Changfeng Fang ◽  
Dongqing Zou ◽  
Wenkai Zhao ◽  
Wen Liu ◽  
...  

By using nonequilibrium Green's functions (NEGF) and density functional theory (DFT), we investigate the spin-separated electronic transport properties in heterojunctions constructed by zigzag graphene and boron nitride nanoribbons.


2018 ◽  
Vol 35 (6) ◽  
pp. 067101
Author(s):  
Yang Liu ◽  
Cai-Juan Xia ◽  
Bo-Qun Zhang ◽  
Ting-Ting Zhang ◽  
Yan Cui ◽  
...  

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