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Accurate electronic band gap of pure and functionalized graphane from GW calculations
Open accessAbstract
Using the GW approximation, we study the electronic structure of the recently synthesized hydrogenated graphene, named graphane. For both conformations, the minimum band gap is found to be direct at the $\ensuremath{\Gamma}$ point, and it has a value of 5.4 eV in the stable chair conformation, where H atoms attach C atoms alternatively on opposite sides of the two-dimensional carbon network. In the metastable boat conformation the energy gap is 4.9 eV. Then, using a supercell approach, the electronic structure of graphane was modified by introducing either a hydroxyl group or an H vacancy. In this last case, an impurity state appears at about 2 eV above the valence-band maximum.
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Cites
Special points for Brillouin-zone integrations
Monkhorst, H. J., & Pack, J. D. (1976) · Physical Review B · doi:10.1103/physrevb.13.5188 · Cited by 71,721
The electronic properties of graphene
Castro Neto, A. H., Guinea, F., Peres, N. M. R., Novoselov, K. S., & Geim, A. K. (2009) · Reviews of Modern Physics · doi:10.1103/revmodphys.81.109 · Cited by 24,803
Electronic excitations: density-functional versus many-body Green’s-function approaches
Onida, G., Reining, L., & Rubio, A. (2002) · Reviews of Modern Physics · doi:10.1103/revmodphys.74.601 · Cited by 4,155
Chiral tunnelling and the Klein paradox in graphene
Katsnelson, M. I., Novoselov, K. S., & Geim, A. K. (2006) · Nature Physics · doi:10.1038/nphys384 · Cited by 3,896
Self-citation
Cited by
Rise of silicene: A competitive 2D material
Zhao, J., Liu, H., Yu, Z., Quhe, R., Zhou, S., Wang, Y., Liu, C. C., Zhong, H., Han, N., Lu, J., et al. (2016) · Progress in Materials Science · doi:10.1016/j.pmatsci.2016.04.001 · Cited by 891
Cudazzo, P., Tokatly, I. V., & Rubio, A. (2011) · Physical Review B · doi:10.1103/physrevb.84.085406 · Cited by 687
Zbořil, R., Karlický, F., Bourlinos, A. B., Steriotis, T. A., Stubos, A. K., Georgakilas, V., Šafářová, K., Jančík, D., Trapalis, C., & Otyepka, M. (2010) · Small · doi:10.1002/smll.201001401 · Cited by 447
The response of mechanical and electronic properties of graphane to the elastic strain
Topsakal, M., Cahangirov, S., & Ciraci, S. (2010) · Applied Physics Letters · doi:10.1063/1.3353968 · Cited by 406
How Do the Electrical Properties of Graphene Change with its Functionalization?
Sreeprasad, T. S., & Berry, V. (2013) · Small · doi:10.1002/smll.201202196 · Cited by 386
Metadata
- Authors
- Lebègue, S., Klintenberg, M., Eriksson, O., & Katsnelson, M. I.
- Venue
- Physical Review B
- Publisher
- American Physical Society (APS)
- Published
- 2009-06-17
- Volume
- 79
- Issue
- 24
- ISSN
- 1098-0121 (ISSN-L)
- 1550-235X
- OpenAlex
- W2167952963
- Cited by
- 320
- References
- 4
- FWCI
- 16.43
- Type
- journal article
- Language
- en
- Open access
- green
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- Lebègue, S., Klintenberg, M., Eriksson, O., & Katsnelson, M. I. (2009). Accurate electronic band gap of pure and functionalized graphane from GW calculations. Physical Review B. https://doi.org/10.1103/physrevb.79.245117
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