Side-dependent electron escape from graphene- and graphane-like SiC layers
Source: Appl. Phys. Lett. 100, 043110 (2012); http://dx.doi.org/10.1063/1.3679175
Published 26 January 2012
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The structural and electronic properties of SiC-based two-dimensional (2D) crystals are studied by means of density functional theory and many-body perturbation theory. Such properties cannot simply be interpolated between graphene and silicene. The replacement of half of the C atoms by Si atoms opens a large direct electronic gap and destroys the Dirac cones. Hydrogenation further opens the gap and significantly reduces the electron affinity to 0.1 or 1.8 eV in dependence on the carbon or silicon termination of the 2D crystal surface, thus showing a unique direction dependent ionization potential. This suggests the use of 2D-SiC:H as electron or hole filter.
©2012 American Institute of Physics
| History: | Received 15 September 2011; accepted 31 December 2011; published 26 January 2012 |
| Digital Object Identifier: |
http://dx.doi.org/10.1063/1.3679175 |
REFERENCES (27)
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- K. S. Novoselov, A. K. Geim, S. V. Morozov, D. Jiang, Y. Zhang, S. V. Dubonos, I. V. Grigorieva, and A. A. Firsov,
Science 306, 666 (2004) . - A. H. Castro Neto, F. Guinea, N. M. R. Peres, K. S. Novoselov, and A. K. Geim,
Rev. Mod. Phys. 81, 109 (2009) . - A. K. Geim,
Science 324, 1530 (2009) . - S. Lebègue, M. Klintenberg, O. Eriksson, and M. I. Katsnelson, Phys. Rev. B 79, 245117 (2009).
- O. Pulci, P. Gori, M. Marsili, V. Garbuio, R. Del Sole, and F. Bechstedt, Strong excitons in novel two-dimensional crystals: Silicane and germanane (unpublished).
- G. G. Guzmán-Verri and L. C. Lew Yan Voon, Phys. Rev. B 76, 075131 (2007).
- P. De Padova, C. Quaresima, B. Olivieri, P. Perfetti, and G. Le Lay, Appl. Phys. Lett. 98, 081909 (2011).
- T. Ohta, A. Bostwick, T. Seyller, K. Horn, and E. Rotenberg,
Science 313, 951 (2006) . - P. Käckell, B. Wenzien, and F. Bechstedt, Phys. Rev. B 50, 10761 (1994);
- P. Melinon, B. Masenelli, F. Tournus, and A. Perez,
Nature Mater. 6, 479 (2007) . - X.-H. Sun, C.-P. Li, W.-K. Wong, N.-B. Wong, C.-S. Lee, S.-T. Lee, and B.-K. Teo,
J. Am. Chem. Soc. 124, 14464 (2002) . - Z. Pan, H.-L. Lai, F. C. K. Au, X. Duan, W. Zhou, W. Shi, N. Wang, C.-S. Lee, N.-B. Wong, S.-T. Lee et al.,
Adv. Mater. 12, 1186 (2000) . - A. Mavrandonakis, G. E. Froudakis, M. Schnell, and M. Mülhäuser,
Nano Lett. 3, 1481 (2003) . - H. Sahin, S. Cahangirov, M. Topsakal, E. Bekaroglu, E. Akturk, R. T. Senger, and S. Ciraci, Phys. Rev. B 80, 155453 (2009).
- J. P. Perdew, K. Burke, and M. Ernzerhof,
Phys. Rev. Lett. 77, 3865 (1996) . - P. Giannozzi, S. Baroni, N. Bonini, M. Calandra, R. Car, C. Cavazzoni, D. Ceresoli, G. L. Chiarotti, M. Cococcioni, I. Dabo et al.,
J. Phys.: Condens. Matter 21, 395502 (2009) . - L. Hedin and B. J. Lundquist, in Solid State Physics, edited by H. Ehrereich, F. Seitz, and D. Turnbull (Academic, NY, 1969), Vol. 23, p. 1.
- QP energies have been calculated with the non-self-consistent GW approximation, the G0W0 approach, using a plasmon pole model (A. Oschlies, R. W. Godby, and R. J. Needs, Phys. Rev. B 51, 1527 (1995)). We have used a 50 × 50 × 1 k Monkhorst-Pack grid for the correlation part of the self-energy, and 90 × 90 × 1 k for the exchange part. The screening has been calculated using 300 bands. An artificial translational symmetry with a distance of 18.6 Å between the sheets is used. In the hydrogenated case, the unit cell is doubled and includes two sheets, separated by 18.8 Å with opposite dipole moments. The Coulomb potential has been cut in the z direction.
- X. Q. Wang and J. T. Wang,
Phys. Lett. A 375, 2676 (2011) . - O. Pulci, P. Gori, M. Marsili, V. Garbuio, A. P. Seitsonen, F. Bechstedt, A. Cricenti, and R. Del Sole,
Phys. Status Solidi A 207, 291 (2010) . - L. C. Lew Yan Voon, E. Sandberg, R. S. Aga, and A. A. Farajian, Appl. Phys. Lett. 97, 163114 (2010).
- E. Bekaroglu, M. Topsakal, S. Cahangirov, and S. Ciraci, Phys. Rev. B 81, 075433 (2010).
- M. Houssa, E. Scalise, K. Sankaran, G. Pourtois, V. V. Afanas'ev, and A. Stesmans, Appl. Phys. Lett 98, 223107 (2011).
- M. Posternak, A. Baldereschi, A. J. Freeman, E. Wimmer, and M. Weinert, Phys. Rev. Lett 50, 761 (1983).
- N. W. Ashcroft and N. D. Mermin, Solid State Physics (Saunders College, Philadelphia, 1976).
- G. Heimel, L. Romaner, J.-L. Bredas, and E. Zojer,
Surf. Sci. 600, 4548 (2006) . - S. Duhm, G. Heimel, I. Salzmann, H. Glowatzki, R. L. Johnson, A. Vollmer, J. P. Rabe, and N. Koch,
Nature Mater. 7, 326 (2008) .
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