Engineering the electronic structure of zigzag graphene nanoribbons with periodic line defect

2017 ◽  
Vol 381 (4) ◽  
pp. 307-313 ◽  
Author(s):  
Chandrima Chakravarty ◽  
Bikash Mandal ◽  
Pranab Sarkar
Keyword(s):  
Electronic Structure ◽  
Graphene Nanoribbons ◽  
Line Defect ◽  
Zigzag Graphene Nanoribbons

Tuning spin polarization and spin transport of zigzag graphene nanoribbons by line defects

2015 ◽  
Vol 17 (1) ◽  
pp. 638-643 ◽  
Author(s):  
G. P. Tang ◽  
Z. H. Zhang ◽  
X. Q. Deng ◽  
Z. Q. Fan ◽  
H. L. Zhu
Keyword(s):  
Electronic Properties ◽  
Spin Polarization ◽  
Spin Transport ◽  
Graphene Nanoribbons ◽  
Line Defect ◽  
Line Defects ◽  
Zigzag Graphene Nanoribbons

The spin-dependent electronic properties of zigzag-edged graphene nanoribbons with a line defect are investigated systematically and compared to those of the pristine ZGNR.

Tuning electronic and magnetic properties of zigzag graphene nanoribbons with a Stone–Wales line defect by position and axis tensile strain

RSC Advances ◽  
2015 ◽  
Vol 5 (42) ◽  
pp. 33407-33413 ◽  
Author(s):  
W. X. Zhang ◽  
C. He ◽  
T. Li ◽  
S. B. Gong
Keyword(s):  
Density Functional Theory ◽  
Magnetic Properties ◽  
Density Functional ◽  
Tensile Strain ◽  
Graphene Nanoribbons ◽  
Line Defect ◽  
Functional Theory ◽  
Electronic And Magnetic Properties ◽  
Zigzag Graphene Nanoribbons

The structural, electronic and magnetic properties can be modulated by changing the SW LD locations and axis tensile strain of 10-ZGNRs using density functional theory.

Electron Transport in Zigzag Graphene Nanoribbons with a Tetra-Vacancy Complex: A Perfect Spin Filter

2014 ◽  
Vol 937 ◽  
pp. 207-213 ◽  
Author(s):  
Wei Lu ◽  
San Huang Ke
Keyword(s):  
Electronic Structure ◽  
Electron Transport ◽  
First Principles ◽  
Graphene Nanoribbons ◽  
Wide Energy Range ◽  
First Principles Calculations ◽  
Spin Filter ◽  
Spin Polarized ◽  
Wide Energy ◽  
Zigzag Graphene Nanoribbons

A novel doping scheme for graphene was recently realized experimentally by creating different vacancy complexes doped with a transition metal (TM) atom [nanoLett. 12, 141 (2012)]. This provides a new reliable way to modifying the electronic structure and transport property of graphene. Here, we show, by performing first-principles calculations, that the defect complex of TM@V4(a TM atom doped tetra-vacancy) in zigzag graphene nanoribbons (ZGNRs) can lead to a 100% spin-polarized electron transport in a wide energy range around the Fermi energy. Analyses show that this is due to the particular atomic structure of the TM@V4complex regardless of the species of the TM atom.

First-principles study of line-defect-embedded zigzag graphene nanoribbons: electronic and magnetic properties

2016 ◽  
Vol 18 (17) ◽  
pp. 12350-12356 ◽  
Author(s):  
Zhaoyong Guan ◽  
Chen Si ◽  
Shuanglin Hu ◽  
Wenhui Duan
Keyword(s):  
Magnetic Properties ◽  
Ground State ◽  
First Principles ◽  
Graphene Nanoribbons ◽  
Ferromagnetic State ◽  
Line Defect ◽  
Hybrid Functional ◽  
Half Metallicity ◽  
Ferromagnetic Ground State ◽  
Zigzag Graphene Nanoribbons

The spin density of H-6-LD-6-2H at the ferromagnetic ground state and the band structure of the ferromagnetic state calculated by hybrid functional HSE06 show its half-metallicity.

The stability and electronic structure of Fe atoms embedded in zigzag graphene nanoribbons

2014 ◽  
Vol 441 ◽  
pp. 28-32 ◽  
Author(s):  
Hengshuai Li ◽  
Haiquan Hu ◽  
Chunjiang Bao ◽  
Xiaoming Zhang ◽  
Aizhu Wang ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Graphene Nanoribbons ◽  
The Stability ◽  
Zigzag Graphene Nanoribbons

Controlling Electronic Structure and Transport Properties of Zigzag Graphene Nanoribbons by Edge Functionalization with Fluorine

2015 ◽  
Vol 119 (36) ◽  
pp. 21227-21233 ◽  
Author(s):  
Sumanta Bhandary ◽  
Gabriele Penazzi ◽  
Jonas Fransson ◽  
Thomas Frauenheim ◽  
Olle Eriksson ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Transport Properties ◽  
Graphene Nanoribbons ◽  
Zigzag Graphene Nanoribbons
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