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Structural phase transition of graphene caused by GaN epitaxy
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1.
1. Y. Miyamoto, H. Zhang, and D. Tománek, Phys. Rev. Lett. 104, 208302 (2010).
http://dx.doi.org/10.1103/PhysRevLett.104.208302
2.
2. J. Ohta and H. Fujioka, “Growth of GaN on graphite by pulsed laser deposition” (unpublished).
3.
3. A. Ishii, T. Tatani, H. Asano, and K. Nakada, Phys. Status Solidi C 7, 347 (2010);
http://dx.doi.org/10.1002/pssc.200982430
3. A. Ishii, T. Tatani, and K. Nakada, Phys. Status Solidi C 8, 1585 (2011).
http://dx.doi.org/10.1002/pssc.201000918
4.
4. J. M. D. Coey, Magnetism and Magnetic Materials (Cambridge University Press, Cambridge, 2010).
5.
5. Y. Gohda and S. Tsuneyuki, Phys. Rev. Lett. 106, 047201 (2011).
http://dx.doi.org/10.1103/PhysRevLett.106.047201
6.
6. J. M. D. Coey, Solid State Sci. 7, 660 (2005).
http://dx.doi.org/10.1016/j.solidstatesciences.2004.11.012
7.
7. S. G. Louie and M. L. Cohen, Phys. Rev. B 13, 2461 (1976).
http://dx.doi.org/10.1103/PhysRevB.13.2461
8.
8. Y. Gohda, S. Watanabe, and A. Groß, Phys. Rev. Lett. 101, 166801 (2008).
http://dx.doi.org/10.1103/PhysRevLett.101.166801
9.
9. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996).
http://dx.doi.org/10.1103/PhysRevLett.77.3865
10.
10. T. Ozaki, Phys. Rev. B. 67, 155108 (2003).
http://dx.doi.org/10.1103/PhysRevB.67.155108
11.
11. A. I. Liechtenstein, M. I. Katsnelson, V. P. Antropov, and V. A. Gubanov, J. Magn. Magn. Mater. 67, 65 (1987);
http://dx.doi.org/10.1016/0304-8853(87)90721-9
11. V. P. Antropov, M. I. Katsnelson, and A. I. Liechtenstein, Physica B 237–238, 336 (1997).
http://dx.doi.org/10.1016/S0921-4526(97)00203-2
12.
12. M. J. Han, T. Ozaki, and J. Yu, Phys. Rev. B 70, 184421 (2004);
http://dx.doi.org/10.1103/PhysRevB.70.184421
12. M. J. Han, T. Ozaki, and J. Yu, Phys. Rev. B 75, 060404R (2007).
http://dx.doi.org/10.1103/PhysRevB.75.060404
13.
13. H. Watanabe, Y. Hatsugai, and H. Aoki, Phys. Rev. B 82, 241403R (2010).
http://dx.doi.org/10.1103/PhysRevB.82.241403
14.
14. Y. Gohda and A. Oshiyama, Phys. Rev. B 78, 161201R (2008).
http://dx.doi.org/10.1103/PhysRevB.78.161201
15.
15. Y. Gohda and A. Oshiyama, J. Phys. Soc. Jpn. 79, 083705 (2010).
http://dx.doi.org/10.1143/JPSJ.79.083705
http://aip.metastore.ingenta.com/content/aip/journal/apl/100/5/10.1063/1.3680100
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FIG. 1.

(Color) Optimized atomic structures of nitride-/graphene-2 × 2 interfaces obtained for lattice constants (a) smaller than 5.46 Å and (b) larger than 5.46 Å. The largest balls represent group-III elements, either Al or Ga. The primitive unit cell is indicated by the solid rhombus.

Image of FIG. 2.

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FIG. 2.

(Color) Dependence of the total energy on the lateral lattice constant. Curves with balls for nitride-graphene are for nitride-/graphene-2 × 2 systems, whereas the two squares represent lattice-matched /graphene-9 × 9 and /graphene-11 × 11. The origins of the energy for graphene, GaN-graphene, and AlN-graphene are arbitrary with each other. Lattice constants of graphene-2 × 2 (4.92 Å), bulk (5.39 Å), and bulk (5.53 Å) are indicated by vertical lines.

Image of FIG. 3.

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FIG. 3.

(Color) (a) Electronic band structure for the /graphene-2 × 2 interface. (b) Local densities of states calculated by projecting onto interface-N p || states (solid and dashed curves, color) as well as pz states of C atoms without direct bonding with N (dotted and dash-dotted curves, black).

Image of FIG. 4.

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FIG. 4.

(a) Dependence of the magnetic moment μ on the injected charge q calculated using the primitive interface unit cell of the /graphene-2 × 2 interface. (b) Effective exchange-coupling constants J 0 j of GaN-graphene calculated with a rectangular unit cell containing two primitive cells, where site 0 is taken as one of the interface N atoms. Values for N-N (N-C) coupling are indicated by large (small) dots, respectively.

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/content/aip/journal/apl/100/5/10.1063/1.3680100
2012-01-31
2014-04-17

Abstract

We report first-principles predictions, where the structure of graphene changes drastically with the epitaxialgrowth of GaN (which has been performed experimentally). We identify /graphene-2 × 2 superstructure as the most probable interface atomic structure, where three C-C bonds are replaced with C-N-C bonds preserving the Dirac cones. As the GaNepitaxy proceeds expanding graphene gradually, the tensile strain for graphene is released suddenly by partial breaking of the C-bond network, attributable to the two-dimensionality of graphene. In contrast, graphene retains its honeycomb structure at the AlN-graphene interface. Both of GaN- and AlN-graphene interfaces exhibit spin polarization.

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Scitation: Structural phase transition of graphene caused by GaN epitaxy
http://aip.metastore.ingenta.com/content/aip/journal/apl/100/5/10.1063/1.3680100
10.1063/1.3680100
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