Energy gaps in graphene nanoribbons.

@article{Son2006EnergyGI,
  title={Energy gaps in graphene nanoribbons.},
  author={Young-Woo Son and Marvin L. Cohen and Steven G. Louie},
  journal={Physical review letters},
  year={2006},
  volume={97 21},
  pages={
          216803
        }
}
Based on a first-principles approach, we present scaling rules for the band gaps of graphene nanoribbons (GNRs) as a function of their widths. The GNRs considered have either armchair or zigzag shaped edges on both sides with hydrogen passivation. Both varieties of ribbons are shown to have band gaps. This differs from the results of simple tight-binding calculations or solutions of the Dirac's equation based on them. Our ab initio calculations show that the origin of energy gaps for GNRs with… 
Electronic properties of graphene nanoribbons with armchair-shaped edges
Calculations based on density-functional theory are used to investigate the electronic properties of graphene nanoribbons (GNRs) with hydrogen-passivated armchair-shaped edges. It is found that their
Electronic band structures of graphene nanoribbons with self-passivating edge reconstructions.
Using the nearest-neighbor tight-binding approach we study the electronic band structures of graphene nanoribbons with self-passivating edge reconstructions. For zigzag ribbons the edge
Functionalization of graphene nanoribbons
With the synthesis of a single atomic plane of graphite, namely, graphene honeycomb structure, a new perspective for carbon-based electronics is opened. The one-dimensional graphene nanoribbons
Electronic structures for armchair-edge graphene nanoribbons under a small uniaxial strain
Abstract. We theoretically investigate the electronic structures for armchair-edge graphene nanoribbons (AGNRs) under a small in-plane uniaxial strain along armchair (longitudinal) and zigzag
Electronic Properties of Bilayer Zigzag Graphene Nanoribbons: First Principles Study
Based on the density functional theory, we calculate the dependence of the band structures of bilayer zigzag-edged graphene nanoribbons (BZGNRs) upon ribbon width, interlayer distance and stacking
Energy gaps in zero-dimensional graphene nanoribbons
The finite size effects on the electronic structure of graphene ribbons are studied using first principles density functional techniques. The energy gap [difference between highest occupied molecular
Strain effect on electronic structures of graphene nanoribbons: A first-principles study.
TLDR
Theoretical results show that the electronic properties of zigzag GNRs are not sensitive to uniaxial strain, while the energy gap modification of armchair GNRs (AGNRs) as a function of uniaXial strain displays a nonmonotonic relationship with a zgzag pattern.
Electronic and transport properties of graphene nanoribbons
We perform ab initio calculations for graphene nanoribbons (GNRs) using density-functional theory (DFT) and generalized gradient approximation (GGA) functionals. We present results for the dependence
A theoretical study of blue phosphorene nanoribbons based on first-principles calculations
Based on first-principles calculations, we present a quantum confinement mechanism for the band gaps of blue phosphorene nanoribbons (BPNRs) as a function of their widths. The BPNRs considered have
Scaling of excitons in graphene nanoribbons with armchair shaped edges.
  • Xi Zhu, H. Su
  • Chemistry, Medicine
    The journal of physical chemistry. A
  • 2011
The scaling behavior of band gaps and fundamental quantities of exciton, i.e., reduced mass, size, and binding strength, in three families of quasi one-dimensional graphene nanoribbons with hydrogen
...
1
2
3
4
5
...

References

SHOWING 1-10 OF 31 REFERENCES
APPL
Statistical packages have been used for decades to analyze large datasets or to perform mathematically intractable statistical methods. These packages are not capable of working with random variables
Soc
  • Jpn. 65, 1920
  • 1996
Nature (London) 444
  • 347
  • 2006
Phys
  • Rev. B 73, 045432
  • 2006
Phys
  • Rev. Lett. 96, 176803
  • 2006
Phys
  • Rev. B 73, 235411
  • 2006
Soc
  • Jpn. 75, 074713
  • 2006
Nature (London) 438
  • 201
  • 2005
Phys
  • Rev. Lett. 95, 146802
  • 2005
Phys
  • Rev. Lett. 92, 057201
  • 2004
...
1
2
3
4
...