Skip to main content
SpringerLink
Log in

Electronic and magnetic properties of single-layer graphene doped by nitrogen atoms

  • Regular Article
  • Published:
The European Physical Journal B Aims and scope Submit manuscript

Abstract

Graphene has vast promising applications on the nanoelectronics and spintronics because of its unique magnetic and electronic properties. Making use of an ab initio spin-polarized density functional theory, implemented by the Heyd-Scuseria-Ernzerhof 06 hybrid functional method, abbreviated as HSE06, the properties of semi-metal nitrogen-substitutional graphene are investigated. From our investigations, we conclude that introducing nitrogen doping would possibly perform the spin symmetry breaking, resulting energy degeneracy at some doping configurations. The spin symmetry breaking would cause spin-polarized effects, which induce magnetic response in graphene. This paper systematically analyzes the dependence of magnetic moments and band gaps in graphene on nitrogen-substitutional doping configurations.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Similar content being viewed by others

References

  1. K.S. Novoselov, A.K. Geim, S.V. Morozov, D. Jiang, Y. Zhang, S.V. Dubonos, I.V. Grigorieva, A.A. Firsov, Science 306, 666 (2004)

    Article  ADS  Google Scholar 

  2. S. Latil, V. Meunier, L. Henrard, Phys. Rev. B 76, 201402(R) (2007)

    Article  ADS  Google Scholar 

  3. L.M. Malard, J. Nilsson, D.C. Elias, J.C. Brant, F. Plentz, E.S. Alves, A.H. Castro Neto, M.A. Pimenta, Phys. Rev. B 76, 201401 (2007)

    Article  ADS  Google Scholar 

  4. C. Riedl, U. Starke, J. Bernhardt, M. Franke, K. Heinz, Phys. Rev. B 76, 245406 (2007)

    Article  ADS  Google Scholar 

  5. A. Sakhaee-Pour, M.T. Ahmadian, R. Naghdabadi, Nanotechnology 19, 085702 (2008)

    Article  ADS  Google Scholar 

  6. A. Mattausch, O. Pankratov, Phys. Rev. Lett. 99, 076802 (2007)

    Article  ADS  Google Scholar 

  7. E. Hwang, S. Adam, S. Das Sarma, Phys. Rev. Lett. 98, 186806 (2007)

    Article  ADS  Google Scholar 

  8. D. Xiao, W. Yao, Q. Niu, Phys. Rev. Lett. 99, 236809 (2007)

    Article  ADS  Google Scholar 

  9. A.K. Geim, K.S. Novoselov, Nat. Mater. 6, 183 (2007)

    Article  ADS  Google Scholar 

  10. N. Levy, S.A. Burke, K.L. Meaker, M. Panlasigui, A. Zettl, F. Guinea, A.H. Castro Neto, M.F. Crommie, Science 329, 544 (2010)

    Article  ADS  Google Scholar 

  11. F. Xia, D.B. Farmer, Y.M. Lin, P. Avouris, Nano Lett. 10, 715 (2010)

    Article  ADS  Google Scholar 

  12. L.L. Zhang, R. Zhou, X.S. Zhao, J. Mater. Chem. 20, 5983 (2010)

    Article  Google Scholar 

  13. D.R. Kauffman, A. Star, The Analyst 135, 2790 (2010)

    Article  ADS  Google Scholar 

  14. B. Seger, P.V. Kamat, J. Phys. Chem. Lett. C 113, 7990 (2009)

    Article  Google Scholar 

  15. L.T. Qu, Y. Liu, J.B. Baek, L.M. Dai, ACS Nano 4, 1321 (2010)

    Article  Google Scholar 

  16. Y. Shao, S. Zhang, C. Wang, Z. Nie, J. Liu, Y. Wang, Y. Lin, J. Power Sources 195, 4600 (2010)

    Article  Google Scholar 

  17. M. Woiska, Phys. Stat. Sol. C 1171, 1167 (2013)

    Google Scholar 

  18. M. Wu, C. Cao, J.Z. Jiang, Nanotechnology 21, 505202 (2010)

    Article  ADS  Google Scholar 

  19. P. Rani, V.K. Jindal, RSC Adv. 3, 802 (2013)

    Article  Google Scholar 

  20. D. Geng, S. Yang, Y. Zhang, J. Yang, J. Liu, R. Li, T.K. Sham, X. Sun, S. Ye, S. Knights, Appl. Surf. Sci. 257, 9193 (2011)

    Article  ADS  Google Scholar 

  21. L. Zhao, R. He, K.T. Rim, T. Schiros, K.S. Kim, H. Zhou, C. Gutierrez, S.P. Chockalingam, C.J. Arguello, L. Palova, D. Nordlund, M.S. Hybertsen, D.R. Reichman, T.F. Heinz, P. Kim, A. Pinczuk, G.W. Flynn, A.N. Pasupathy, Science 333, 999 (2011)

    Article  ADS  Google Scholar 

  22. R. Quhe, J. Zheng, G. Luo, Q. Liu, R. Qin, J. Zhou, D. Yu, S. Nagase, W.-N. Mei, Z. Gao, J. Lu, NPG Asia Materials 4, e6 (2012)

    Article  Google Scholar 

  23. G. Kresse, J. Hafner, Phys. Rev. B 49, 14251 (1994)

    Article  ADS  Google Scholar 

  24. G. Kresse, J. Furthmüller, Comput. Mater. Sci. 6, 15 (1996)

    Article  Google Scholar 

  25. J.P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996)

    Article  ADS  Google Scholar 

  26. P.E. Blochl, Phys. Rev. B 50, 17953 (1994)

    Article  ADS  Google Scholar 

  27. H.J. Monkhorst, J.D. Pack, Phys. Rev. B 13, 5188 (1976)

    Article  MathSciNet  ADS  Google Scholar 

  28. K. Hummer, J. Harl, G. Kresse, Phys. Rev. B 80, 115205 (2009)

    Article  ADS  Google Scholar 

  29. O. Hod, V. Barone, G. Scuseria, Phys. Rev. B 77, 035411 (2008)

    Article  ADS  Google Scholar 

  30. M. Marsman, J. Paier, A. Stroppa, G. Kresse, J. Phys.: Condens. Matter 20, 064201 (2008)

    ADS  Google Scholar 

  31. H. Xiang, B. Huang, Z. Li, S.H. Wei, J. Yang, X. Gong, Phys. Rev. X 2, 011003 (2012)

    Google Scholar 

  32. R. Singh, P. Kroll, J. Phys.: Condens. Matter 21, 196002 (2009)

    ADS  Google Scholar 

  33. I. Hagiri, N. Takahashi, K. Takeda, J. Phys. Chem. A 108, 2290 (2004)

    Article  Google Scholar 

  34. Y. Ma, A. Foster, A. Krasheninnikov, R. Nieminen, Phys. Rev. B 72, 205416 (2005)

    Article  ADS  Google Scholar 

  35. L.S. Panchakarla, K.S. Subrahmanyam, S.K. Saha, A. Govindaraj, H.R. Krishnamurthy, U.V. Waghmare, C.N.R. Rao, Adv. Mater. 21, 4726 (2009)

    Google Scholar 

  36. J.M. García-Lastra, Phys. Rev. B 82, 235418 (2010)

    Article  ADS  Google Scholar 

  37. Ph. Lambin, H. Amara, F. Ducastelle, L. Henrard, Phys. Rev. B 86, 045448 (2012)

    Article  ADS  Google Scholar 

  38. A.M. Black-Schaffer, Phys. Rev. B 81, 205416 (2010)

    Article  ADS  Google Scholar 

Download references

Author information

Authors and Affiliations

  1. State Key Laboratory of Theoretical Physics, Institute of Theoretical Physics, Chinese Academy of Science, Beijing, 100190, P.R. China

    Zongguo Wang & Shaojing Qin

  2. China Center of Advanced Science and Technology, P.O. Box 8730, Beijing, 100190, P.R. China

    Chuilin Wang

Authors
  1. Zongguo Wang
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. Shaojing Qin
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. Chuilin Wang
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to Zongguo Wang.

Rights and permissions

Reprints and permissions

About this article

Check for updates. Verify currency and authenticity via CrossMark

Cite this article

Wang, Z., Qin, S. & Wang, C. Electronic and magnetic properties of single-layer graphene doped by nitrogen atoms. Eur. Phys. J. B 87, 88 (2014). https://doi.org/10.1140/epjb/e2014-40719-y

Download citation

  • Received:

  • Revised:

  • Published:

  • DOI: https://doi.org/10.1140/epjb/e2014-40719-y

Keywords

Search

Navigation