journal article·2010-10Open access

Electronic transport in polycrystalline graphene

Oleg V. Yazyev, Steven G. Louie

Nature Materials· Volume 9· Issue 10

Abstract

Most materials in available macroscopic quantities are polycrystalline. Graphene, a recently discovered two-dimensional form of carbon with strong potential for replacing silicon in future electronics, is no exception. There is growing evidence of the polycrystalline nature of graphene samples obtained using various techniques. Grain boundaries, intrinsic topological defects of polycrystalline materials, are expected to markedly alter the electronic transport in graphene. Here, we develop a theory of charge carrier transmission through grain boundaries composed of a periodic array of dislocations in graphene based on the momentum conservation principle. Depending on the grain-boundary structure we find two distinct transport behaviours--either high transparency, or perfect reflection of charge carriers over remarkably large energy ranges. First-principles quantum transport calculations are used to verify and further investigate this striking behaviour. Our study sheds light on the transport properties of large-area graphene samples. Furthermore, purposeful engineering of periodic grain boundaries with tunable transport gaps would allow for controlling charge currents without the need to introduce bulk bandgaps in otherwise semimetallic graphene. The proposed approach can be regarded as a means towards building practical graphene electronics.
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Research context

OpenAlex topics: Graphene research and applications · 2D Materials and Applications · Topological Materials and Phenomena

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

References (30)

Show source-provided references
1. Geim, A. K. & Novoselov, K. S. The rise of graphene. Nature Mater. 6, 183–191 (2007).10.1038/nmat1849 ↗
2. Katsnelson, M. I. Graphene: Carbon in two dimensions. Mater. Today 10, 20–27 (2007).10.1016/S1369-7021(06)71788-6 ↗
3. Castro Neto, A. H., Guinea, F., Peres, N. M. R., Novoselov, K. S. & Geim, A. K. The electronic properties of graphene. Rev. Mod. Phys. 81, 109–162 (2009).10.1103/RevModPhys.81.109 ↗
4. Albrecht, T. R., Mizes, H. A., Nogami, J., Park, S-i. & Quate, C. F. Observation of tilt boundaries in graphite by scanning tunneling microscopy and associated multiple tip effects. Appl. Phys. Lett. 52, 362–364 (1988).10.1063/1.99465 ↗
5. Clemmer, C. R. & Beebe, T. P. Jr Graphite: A mimic for DNA and other biomolecules in scanning tunneling microscope studies. Science 251, 640–642 (1991).10.1126/science.1992517 ↗
6. Heckl, W. M. & Binnig, G. Domain walls on graphite mimic DNA. Ultramicroscopy 42, 1073–1078 (1992).10.1016/0304-3991(92)90404-8 ↗
7. C˘ervenka, J. & Flipse, C. F. J. Structural and electronic properties of grain boundaries in graphite: Planes of periodically distributed point defects. Phys. Rev. B 79, 195429 (2009).10.1103/PhysRevB.79.195429 ↗
8. C˘ervenka, J., Katsnelson, M. I. & Flipse, C. F. J. Room-temperature ferromagnetism in graphite driven by two-dimensional networks of point defects. Nature Phys. 5, 840–844 (2009).10.1038/nphys1399 ↗
9. Coraux, J. et al. Growth of graphene on Ir(111). New J. Phys. 11, 023006 (2009).10.1088/1367-2630/11/3/039801 ↗
10. Miller, D. L. et al. Observing the quantization of zero mass carriers in graphene. Science 324, 924–927 (2009).10.1126/science.1171810 ↗
11. Loginova, E., Nie, S., Thurmer, K., Bartelt, N. C. & McCarty, K. F. Defects of graphene on Ir(111): Rotational domains and ridges. Phys. Rev. B 80, 085430 (2009).10.1103/PhysRevB.80.085430 ↗
12. Park, H. J., Meyer, J., Roth, S. & Skákalová, V. Growth and properties of few-layer graphene prepared by chemical vapor deposition. Carbon 48, 1088–1094 (2010).10.1016/j.carbon.2009.11.030 ↗
13. Lahiri, J., Lin, Y., Bozkurt, P., Oleynik, I. I. & Batzill, M. An extended defect in graphene as a metallic wire. Nature Nanotech. 5, 326–329 (2010).10.1038/nnano.2010.53 ↗
14. Sutton, A. P. & Balluffi, R. W. Interfaces in Crystalline Materials (Clarendon Press, 1995).
15. Read, W. T. & Shockley, W. Dislocation models of crystal grain boundaries. Phys. Rev. 78, 275–289 (1950).10.1103/PhysRev.78.275 ↗
16. Yazyev, O. V. & Louie, S. G. Topological defects in graphene: Dislocations and grain boundaries. Phys. Rev. B 81, 195420 (2010).10.1103/PhysRevB.81.195420 ↗
17. White, C. T. & Mintmire, J. W. Density of states reflects diameter in nanotubes. Nature 394, 29–30 (1998).10.1038/27801 ↗
18. Mintmire, J. W. & White, C. T. Universal density of states for carbon nanotubes. Phys. Rev. Lett. 81, 2506–2509 (1998).10.1103/PhysRevLett.81.2506 ↗
19. Carraro, C. & Nelson, D. R. Grain-boundary buckling and spin-glass models of disorder in membranes. Phys. Rev. E 48, 3082–3090 (1993).10.1103/PhysRevE.48.3082 ↗
20. Simonis, P. et al. STM study of a grain boundary in graphite. Surf. Sci. 511, 319–322 (2002).10.1016/S0039-6028(02)01511-X ↗
21. Liu, Y. & Yakobson, B. I. Cones, pringles, and grain boundary landscapes in graphene topology. Nano Lett. 10, 2178–2183 (2010).10.1021/nl100988r ↗
22. Koskinen, P., Malola, S. & Häkkinen, H. Self-passivating edge reconstructions of graphene. Phys. Rev. Lett. 101, 115502 (2008).10.1103/PhysRevLett.101.115502 ↗
23. Katsnelson, M. I., Novoselov, K. S. & Geim, A. K. Chiral tunnelling and the Klein paradox in graphene. Nature Phys. 2, 620–625 (2006).10.1038/nphys384 ↗
24. Young, A. F. & Kim, P. Quantum interference and Klein tunnelling in graphene heterojunctions. Nature Phys. 5, 222–226 (2009).10.1038/nphys1198 ↗
25. Stander, N., Huard, B. & Goldhaber-Gordon, D. Evidence for Klein tunneling in graphene p–n junctions. Phys. Rev. Lett. 102, 026807 (2009).10.1103/PhysRevLett.102.026807 ↗
26. Xia, F., Farmer, D. B., Lin, Y-M. & Avouris, P. Graphene field-effect transistors with high on/off current ratio and large transport band gap at room temperature. Nano Lett. 10, 715–718 (2010).10.1021/nl9039636 ↗
27. Soler, J. M. et al. The SIESTA method for ab initio order-N materials simulation. J. Phys. Condens. Matter 14, 2745–2779 (2002).10.1088/0953-8984/14/11/302 ↗
28. Perdew, J. P., Burke, K. & Ernzerhof, M. Generalized gradient approximation made simple. Phys. Rev. Lett. 77, 3865–3868 (1996).10.1103/PhysRevLett.77.3865 ↗
29. Troullier, N. & Martins, J. L. Efficient pseudopotentials for plane-wave calculations. Phys. Rev. B 43, 1993–2006 (1991).10.1103/PhysRevB.43.1993 ↗
30. Brandbyge, M., Mozos, J-L., Ordejón, P., Taylor, J. & Stokbro, K. Density-functional method for nonequilibrium electron transport. Phys. Rev. B 65, 165401 (2002).10.1103/PhysRevB.65.165401 ↗