Electronic structure and optical properties of boron-sulfur symmetric codoping in 4 × 4 graphene systems

  • Chen Huang
  • Lihong Han
  • Liyuan Wu
  • Rui Su
  • Jun Chen
  • Pengfei Lu
Regular Article

Abstract

The electronic structure and optical properties of boron-doped, sulfur-doped, and boron-sulfur-codoped graphene systems have been studied by using first-principles calculations. Energy band structure and density of states are presented to describe the electronic properties. The doping can open the band gap and change the optical properties of graphene. For all optical properties of doped graphene systems, parallel (E ) polarization and perpendicular (E ) polarization are presented. The optical properties under two kinds of polarizations are reflected in the range of peak height and the change of some extraordinary features.

Keywords

Solid State and Materials 

References

  1. 1.
    A.H. Castro-Neto, F. Guinea, N.M.R. Peres, K.S. Novoselov, A.K. Geim, Rev. Mod. Phys. 81, 109 (2009) ADSCrossRefGoogle Scholar
  2. 2.
    C. Riedl, U. Starke, J. Bernhardt, M. Franke, K. Heinz, Phys. Rev. B 76, 245406 (2007) ADSCrossRefGoogle Scholar
  3. 3.
    E. Hwang, S. Adam, S. Das Sarma, Phys. Rev. Lett. 98, 186806 (2007) ADSCrossRefGoogle Scholar
  4. 4.
    T. Kuila, S. Bose, A.K. Mishra, P. Khanra, N.H. Kim, J.H. Lee, Prog. Mater. Sci. 57, 1061 (2012) CrossRefGoogle Scholar
  5. 5.
    M.I. Katsnelson, Mater. Today 10, 20 (2007) CrossRefGoogle Scholar
  6. 6.
    N. Levy, S.A. Burke, K.L. Meaker, M. Panlasigui, A. Zettl, F. Guinea, A.H.C. Neto, M.F. Crommie, Science 329, 544 (2010) ADSCrossRefGoogle Scholar
  7. 7.
    N.O. Weiss et al., Adv. Mater. 24, 5782 (2012) ADSCrossRefGoogle Scholar
  8. 8.
    A.K. Geim, K.S. Novoselov, Nat. Mater. 6, 183 (2007) ADSCrossRefGoogle Scholar
  9. 9.
    F. Xia, D.B. Farmer, Y.M. Lin, P. Avouris, Nano Lett. 10, 715 (2010) ADSCrossRefGoogle Scholar
  10. 10.
    D.R. Kauffman, A. Star, Analyst 135, 2790 (2010) ADSCrossRefGoogle Scholar
  11. 11.
    L.T. Qu, Y. Liu, J.B. Baek, L.M. Dai, ACS Nano 4, 1321 (2010) CrossRefGoogle Scholar
  12. 12.
    L.L. Zhang, R. Zhou, X.S. Zhao, J. Mater. Chem. 20, 5983 (2010) CrossRefGoogle Scholar
  13. 13.
    X. Wang, X. Li, L. Zhang, Y. Yoon, P.K. Weber, H. Wang, Science 324, 768 (2009) ADSCrossRefGoogle Scholar
  14. 14.
    T.B. Martins, R.H. Miwa, A.J.R. da Silva, A. Fazzio, Phys. Rev. Lett. 98, 196803 (2007) ADSCrossRefGoogle Scholar
  15. 15.
    L. Ci, L. Song, C. Jin, D. Jariwala, D. Wu, Y. Li, A. Srivastava, Z.F. Wang, K. Storr, L. Balicas, F. Liu, P.M. Ajayan, Nat. Mater. 9, 430 (2010) ADSCrossRefGoogle Scholar
  16. 16.
    M. Woiska, Phys. Stat. Sol. C 1171, 1167 (2013) Google Scholar
  17. 17.
    P. Rani, V.K. Jindal, RSC Adv. 3, 802 (2013) CrossRefGoogle Scholar
  18. 18.
    A.L.E. Garcia, S.E. Baltazar, A.H. Romero, J.F. Perez Robles, A. Rubio, J. Comput. Theor. Nanosci. 5, 1 (2008) CrossRefGoogle Scholar
  19. 19.
    R.B. Pontes, A. Fazzio, G.M. Dalpian, Phys. Rev. B 79, 033412 (2009) ADSCrossRefGoogle Scholar
  20. 20.
    G. Kresse, J. Hafner, Phys. Rev. B 47, 558 (1993) ADSCrossRefGoogle Scholar
  21. 21.
    G. Kresse, J. Hafner, Phys. Rev. B 49, 14251 (1994) ADSCrossRefGoogle Scholar
  22. 22.
    G. Kresse, J. Furthmuller, Comput. Mater. Sci. 6, 15 (1996) CrossRefGoogle Scholar
  23. 23.
    G. Kresse, J. Furthmuller, Phys. Rev. B 54, 11169 (1996) ADSCrossRefGoogle Scholar
  24. 24.
    G. Kresse, D. Joubert, Phys. Rev. B 59, 1758 (1999) ADSCrossRefGoogle Scholar
  25. 25.
    P. Blöchl, Phys. Rev. B 50, 17953 (1994) ADSCrossRefGoogle Scholar
  26. 26.
    J.P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996) ADSCrossRefGoogle Scholar
  27. 27.
    H.J. Monkhorst, J.D. Pack, Phys. Rev. B 13, 5188 (1976) ADSCrossRefMathSciNetGoogle Scholar
  28. 28.
    J. Cai, P. Ruffieux, R. Jaafar, M. Bieri, T. Braun, S. Blankenburg, M. Muoth, A.P. Seitsonen, M. Saleh, X. Feng, K. Müllen, R. Fasel, Nature 466, 470 (2010) ADSCrossRefGoogle Scholar
  29. 29.
    S. Mukherjee, T.P. Kaloni, J. Nanopart. Res. 14, 1059 (2012) CrossRefGoogle Scholar
  30. 30.
    A.L.E. Garcia, S.E. Baltazar, A.H. Romero, J.F. Perez Robles, A. Rubio, J. Comput. Theor. Nanosci. 5, 1 (2008) CrossRefGoogle Scholar
  31. 31.
    P. Nath, S. Chowdhury, D. Sanyal, D. Jana, Carbon 73, 275 (2014) CrossRefGoogle Scholar
  32. 32.
    T. Eberlein, U. Bangert, R.R. Nair, R. Jones, M. Gass, A.L. Bleloch, Phys. Rev. B 77, 233406 (2008) ADSCrossRefGoogle Scholar

Copyright information

© EDP Sciences, SIF, Springer-Verlag Berlin Heidelberg 2015

Authors and Affiliations

  • Chen Huang
    • 1
  • Lihong Han
    • 1
  • Liyuan Wu
    • 1
  • Rui Su
    • 2
  • Jun Chen
    • 2
  • Pengfei Lu
    • 1
  1. 1.State Key Laboratory of Information Photonics and Optical Communications, Ministry of Education, Beijing University of Posts and TelecommunicationsBeijingP.R. China
  2. 2.Beijing Applied Physics and Computational MathematicsBeijingP.R. China

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