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Electronic properties of hydrogenated silicene and germanene
Abstract
The electronic properties of hydrogenated silicene and germanene, so called silicane and germanane, respectively, are investigated using first-principles calculations based on density functional theory. Two different atomic configurations are found to be stable and energetically degenerate. Upon the adsorption of hydrogen, an energy gap opens in silicene and germanene. Their energy gaps are next computed using the HSE hybrid functional as well as the G0W0 many-body perturbation method. These materials are found to be wide band-gap semiconductors, the type of gap in silicane (direct or indirect) depending on its atomic configuration. Germanane is predicted to be a direct-gap material, independent of its atomic configuration, with an average energy gap of about 3.2 eV, this material thus being potentially interesting for optoelectronic applications in the blue/violet spectral range.
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Cites
Projector augmented-wave method
Blöchl, P. E. (1994) · Physical Review B · doi:10.1103/physrevb.50.17953 · Cited by 92,732
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
Cited by
Progress, Challenges, and Opportunities in Two-Dimensional Materials Beyond Graphene
Butler, S. Z., Hollen, S. M., Cao, L., Cui, Y., Gupta, J. A., Gutiérrez, H. R., Heinz, T. F., Hong, S. S., Huang, J., Ismach, A. F., et al. (2013) · ACS Nano · doi:10.1021/nn400280c · Cited by 4,878
Tunable and sizable band gap in silicene by surface adsorption
Quhe, R., Fei, R., Liu, Q., Zheng, J., Li, H., Xu, C., Ni, Z., Wang, Y., Yu, D., Gao, Z., et al. (2012) · Scientific Reports · doi:10.1038/srep00853 · Cited by 295
Metadata
- Authors
- Houssa, M., Scalise, E., Sankaran, K., Pourtois, G., Afanas’ev, V. V., & Stesmans, A.
- Venue
- Applied Physics Letters
- Publisher
- AIP Publishing
- Published
- 2011-05-30
- Volume
- 98
- Issue
- 22
- ISSN
- 0003-6951 (ISSN-L)
- 1077-3118
- OpenAlex
- W2050393536
- Cited by
- 464
- References
- 2
- FWCI
- 14.41
- Type
- journal article
- Language
- en
- Open access
- closed
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- Houssa, M., Scalise, E., Sankaran, K., Pourtois, G., Afanas’ev, V. V., & Stesmans, A. (2011). Electronic properties of hydrogenated silicene and germanene. Applied Physics Letters. https://doi.org/10.1063/1.3595682
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