APL Nameplate
  • Volume/Page
  • Keyword
  • DOI
  • Citation
  • Advanced
   
 
 
 

Flickr Twitter UniPHY Group iResearch App Facebook

Applied Physics Letters / Volume 100 / Issue 5 / NANOSCALE SCIENCE AND TECHNOLOGY
Author Select

FULL-TEXT OPTIONS:

Appl. Phys. Lett. 100, 053111 (2012); http://dx.doi.org/10.1063/1.3680100 (4 pages)

Structural phase transition of graphene caused by GaN epitaxy

Y. Gohda1 and S. Tsuneyuki1,2

1Department of Physics, The University of Tokyo, Tokyo 113-0033, Japan
2Institute for Solid State Physics, The University of Tokyo, Kashiwa 277-8581, Japan

View MapView Map

(Received 16 August 2011; accepted 9 January 2012; published online 31 January 2012)

We report first-principles predictions, where the structure of graphene changes drastically with the epitaxial growth of GaN (which has been performed experimentally). We identify GaN-math×math/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 GaN epitaxy 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.

© 2012 American Institute of Physics

RELATED DATABASES

Web of Science

View this record in Web of Science

View Web of Science related articles

KEYWORDS, PACS, and IPC

Keywords

ab initio calculations, bonds (chemical), gallium compounds, graphene, honeycomb structures, III-V semiconductors, interface structure, semiconductor epitaxial layers, solid-state phase transformations, surface reconstruction, tensile strength, wide band gap semiconductors

PACS

  • 81.30.Hd

    Constant-composition solid-solid phase transformations: polymorphic, massive, and order-disorder

  • 64.70.kg

    Semiconductors

  • 68.35.Ct

    Interface structure and roughness

  • 68.47.Fg

    Semiconductor surfaces

International Patent Classification (IPC)

  • B32B

    Layered products, i.e. products built-up of strata of flat or non-flat, e.g. cellular or honeycomb, form

  • B32B3/12

    Characterised by a layer of regularly-arranged cells whether integral or formed individually or by conjunction of separate strips, e.g. honeycomb structure

ARTICLE DATA

Digital Object Identifier
http://dx.doi.org/10.1063/1.3680100

PUBLICATION DATA

ISSN

0003-6951 (print)  
1077-3118 (online)

Publisher

$abstract.society.value is a Member of CrossRef American Institute of Physics

  1. Y. Miyamoto, H. Zhang, and D. Tománek, Phys. Rev. Lett. 104, 208302 (2010). [MEDLINE]
  2. J. Ohta and H. Fujioka , “Growth of GaN on graphite by pulsed laser deposition” (unpublished).
  3. A. Ishii, T. Tatani, H. Asano, and K. Nakada, Phys. Status Solidi C 7, 347 (2010);, A. Ishii, T. Tatani, and K. Nakada, ibid. 8, 1585 (2011).
  4. J. M. D. Coey , Magnetism and Magnetic Materials (Cambridge University Press, Cambridge, 2010).
  5. Y. Gohda and S. Tsuneyuki, Phys. Rev. Lett. 106, 047201 (2011).
  6. J. M. D. Coey, Solid State Sci. 7, 660 (2005).
  7. S. G. Louie and M. L. Cohen, Phys. Rev. B 13, 2461 (1976).
  8. Y. Gohda, S. Watanabe, and A. Groß, Phys. Rev. Lett. 101, 166801 (2008).
  9. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996).
  10. T. Ozaki, Phys. Rev. B. 67, 155108 (2003).
  11. A. I. Liechtenstein, M. I. Katsnelson, V. P. Antropov, and V. A. Gubanov, J. Magn. Magn. Mater. 67, 65 (1987); [Inspec]
    V. P. Antropov, M. I. Katsnelson, and A. I. Liechtenstein, Physica B 237–238, 336 (1997). [Inspec] [ISI]
  12. M. J. Han, T. Ozaki, and J. Yu, Phys. Rev. B 70, 184421 (2004);, M. J. Han, T. Ozaki, and J. Yu, ibid. 75, 060404(R) (2007).
  13. H. Watanabe, Y. Hatsugai, and H. Aoki, Phys. Rev. B 82, 241403(R) (2010).
  14. Y. Gohda and A. Oshiyama, Phys. Rev. B 78, 161201(R) (2008).
  15. Y. Gohda and A. Oshiyama, J. Phys. Soc. Jpn. 79, 083705 (2010).

Figures (click on thumbnails to view enlargements)

FIG.1
(Color) Optimized atomic structures of nitride-math×math/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.

FIG.1 Download High Resolution Image (.zip file) | Export Figure to PowerPoint

FIG.2
(Color) Dependence of the total energy on the lateral lattice constant. Curves with balls for nitride-graphene are for nitride-math×math/graphene-2 × 2 systems, whereas the two squares represent lattice-matched GaN-4math×4math/graphene-9 × 9 and AIN-5math×5math/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), AIN-math×math bulk (5.39 Å), and GaN-math×math bulk (5.53 Å) are indicated by vertical lines.

FIG.2 Download High Resolution Image (.zip file) | Export Figure to PowerPoint

FIG.3
(Color) (a) Electronic band structure for the GaN-math×math/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).

FIG.3 Download High Resolution Image (.zip file) | Export Figure to PowerPoint

FIG.4
(a) Dependence of the magnetic moment μ on the injected charge q calculated using the primitive interface unit cell of the GaN-math×math/graphene-2 × 2 interface. (b) Effective exchange-coupling constants J0j 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.

FIG.4 Download High Resolution Image (.zip file) | Export Figure to PowerPoint



Close

Google Calendar

ADVERTISEMENT

Your Recent History Recent History Help

Recently Viewed

  1. Structural phase transition of graphene caused by GaN epitaxy
  2. Self-driving capacitive cantilevers for high-frequency atomic force microscopy
  3. Position-controlled [100] InP nanowire arrays
  4. Room-temperature single molecular memory
  5. Negative differential spin conductance in doped zigzag graphene nanoribbons
Go to AIP Home
Copyright © American Institute of Physics
close