Physics of the Solid State

, Volume 55, Issue 7, pp 1536–1544 | Cite as

Transition metal and rare-earth metal atoms on single-layer graphene: Estimations of the charge transfer and adsorption energy

Graphenes

Abstract

A Hamiltonian accounting for s- and d(f)-states of adatoms has been proposed to describe adsorption of atoms of d- and f-metals on single-sheet graphene. It has been shown that s-electrons mainly contribute to the charge transfer Δn a between the adatom and graphene substrate. Analytical formulas proposed previously within the M-model of the graphene density of states are used for Δn a calculations. To estimate the adsorption energy, a simple analytical expression is proposed. Calculations are performed for 3d-, 4d-, 5d-, and 4f-adatoms. The results of calculations are compared with the data obtained by other authors.

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References

  1. 1.
    I. Gierz, C. Riedl, U. Starke, C. R. Ast, and K. Kern, Nano Lett. 8(12), 4603 (2008).ADSCrossRefGoogle Scholar
  2. 2.
    K. T. Chan, J. B. Neaton, and M. L. Cohen, Phys. Rev. B: Condens. Matter 77, 235430 (2008).ADSCrossRefGoogle Scholar
  3. 3.
    K. Pi, M. McCreary, W. Bao, W. Han, Y. F. Chiang, Y. Li, S.-W. Tsai, C. N. Lau, and R. K. Kawakami, Phys. Rev. B: Condens. Matter 80, 075406 (2009).ADSCrossRefGoogle Scholar
  4. 4.
    H. Johll, H. C. Kang, and E. S. Tok, Phys. Rev. B: Condens. Matter 79, 245416 (2009).ADSCrossRefGoogle Scholar
  5. 5.
    C. Cao, M. Wu, J. Jiang, and H.-P. Cheng, Phys. Rev. B: Condens. Matter 81, 205424 (2010).ADSCrossRefGoogle Scholar
  6. 6.
    M. Amft, S. Lebegue, O. Eriksson, and N. V. Skorodumova, arXiv:1011.1113.Google Scholar
  7. 7.
    D. Jacob and G. Kotliar, arXiv:1006.2779.Google Scholar
  8. 8.
    H. Valencia, A. Gil, and G. Frapper, J. Phys. Chem. C 114(33), 14141 (2010).CrossRefGoogle Scholar
  9. 9.
    V. Zolyomi, A. Rusznyak, J. Kurti, and C. J. Lambert, J. Phys. Chem. C 114(43), 18548 (2010).CrossRefGoogle Scholar
  10. 10.
    R. C. Longo, J. Carrete, and L. J. Gallego, Phys. Rev. B: Condens. Matter 83, 235415 (2011).ADSCrossRefGoogle Scholar
  11. 11.
    X. Liu, C. Z. Wang, Y. X. Yao, W. C. Lu, M. Hupalo, M. C. Tringides, and K. M. Ho, Phys. Rev. B: Condens. Matter 83, 235411 (2011).ADSCrossRefGoogle Scholar
  12. 12.
    T. O. Wehling, A. I. Lichtenstein, and M. I. Katsnelson, arXiv:1107.3012.Google Scholar
  13. 13.
    J. E. Santos, N. M. R. Peres, J. M. B. Lopes dos Santos, and A. H. Castro Neto, Phys. Rev. B: Condens. Matter 84, 085430 (2011).ADSCrossRefGoogle Scholar
  14. 14.
    J. Ding, Z. Qiao, W. Feng, Y. Yao, and Q. Niu, arXiv:1108.6235.Google Scholar
  15. 15.
    K. Pi, K. M. McCreary, W. Bao, W. Han, Y. F. Chiang, Y. Li, S.-W. Tsai, C. N. Lau, and R. K. Kawakami, Phys. Rev. B: Condens. Matter 76, 075429 (2007).CrossRefGoogle Scholar
  16. 16.
    Y. L. Mao, J. M. Yuan, and J. X. Zhong, J. Phys.: Condens. Matter 20, 115209 (2008).ADSCrossRefGoogle Scholar
  17. 17.
    B. J. Thorpe, Surf. Sci. 33(2), 306 (1972).ADSCrossRefGoogle Scholar
  18. 18.
    S. Yu. Davydov and S. K. Tikhonov, Surf. Sci. 371(1), 157 (1997).ADSCrossRefGoogle Scholar
  19. 19.
    S. Yu. Davydov, Fiz. Met. Metalloved. 46(2), 241 (1978).Google Scholar
  20. 20.
    F. D. M. Haldane and P. W. Anderson, Phys. Rev. B: Solid State 13(6), 2553 (1976).ADSCrossRefGoogle Scholar
  21. 21.
    S. Alexander and P. W. Anderson, Phys. Rev. [Sect.] A 133(6), 1594 (1964).ADSGoogle Scholar
  22. 22.
    S. Yu. Davydov, Semiconductors 46(3), 363 (2012).ADSCrossRefGoogle Scholar
  23. 23.
    S. Yu. Davydov, Phys. Solid State 54(8), 1728 (2012).ADSCrossRefGoogle Scholar
  24. 24.
    S. Yu. Davydov and G. I. Sabirova, Phys. Solid State 53(3), 654 (2011).ADSCrossRefGoogle Scholar
  25. 25.
    S. Yu. Davydov, Phys. Solid State 53(12), 2545 (2011).ADSCrossRefGoogle Scholar
  26. 26.
    W. A. Harrison, Electronic Structure and the Properties of Solids: The Physics of the Chemical Bond (Freeman, San Francisco, California, 1980; Mir, Moscow, 1983), Vols. 1, 2.Google Scholar
  27. 27.
    W. A. Harrison, Phys. Rev. B: Condens. Matter 27(6), 3592 (1983).ADSCrossRefGoogle Scholar
  28. 28.
    W. A. Harrison, Phys. Rev. B: Condens. Matter 31(4), 2121 (1985).ADSCrossRefGoogle Scholar
  29. 29.
    Handbook of Physical Quantities, Ed. by I. S. Grigoriev and E. Z. Meilikhov (Energoatomizdat, Moscow, 1991; CRC Press, Boca Raton, Florida, United States, 1996).Google Scholar
  30. 30.
    P. W. Anderson, Phys. Rev. 124(1), 41 (1961).MathSciNetADSCrossRefGoogle Scholar
  31. 31.
    C. Kittel, Quantum Theory of Solids (Wiley, New York, 1963; Nauka, Moscow, 1967).Google Scholar
  32. 32.
    S. Yu. Davydov, Semiconductors 46(2), 193 (2012).ADSCrossRefGoogle Scholar
  33. 33.
    A. A. Radtsig and B. M. Smirnov, Parameters of Atoms and Atomic Ions: A Handbook (Energoatomizdat, Moscow, 1986) [in Russian].Google Scholar
  34. 34.
    J. W. Gadzuk, Phys. Rev. B: Solid State 1(5), 2110 (1970).ADSCrossRefGoogle Scholar
  35. 35.
    Theory of Chemisorption, Ed. by J. R. Smith (Springer-Verlag, Berlin, 1980; Mir, Moscow, 1983).Google Scholar
  36. 36.
    A. Mattausch and O. Pankratov, Phys. Rev. Lett. 99, 076802 (2007).ADSCrossRefGoogle Scholar
  37. 37.
    S. Yu. Davydov and G. I. Sabirova, Tech. Phys. Lett. 36(12), 1154 (2010).ADSCrossRefGoogle Scholar
  38. 38.
    S. Yu. Davydov and G. I. Sabirova, Tech. Phys. Lett. 37(6), 515 (2011).ADSCrossRefGoogle Scholar
  39. 39.
    S. Yu. Davydov, Appl. Surf. Sci. 2575, 1506 (2010).ADSCrossRefGoogle Scholar
  40. 40.
    X. Liu, C. Z. Wang, M. Hupalo, Y. X. Yao, M. C. Tringides, W. C. Lu, and K. M. Ho, Phys. Rev. B: Condens. Matter 82, 245408 (2010).ADSCrossRefGoogle Scholar
  41. 41.
    J.-H. Parq, J. Yu, Y.-K. Kwon, and G. Kim, arXiv:1009.6146.Google Scholar
  42. 42.
    Z. Z. Alisultanov, Low Temp. Phys. 39(2), 172 (2013).ADSCrossRefGoogle Scholar
  43. 43.
    V. Yu. Irkhin and Yu. P. Irkhin, Electronic Structure, Correlation Effects and Physical Properties of d- and f- Metals and Their Compounds (Ural Branch of the Russian Academy of Sciences, Yekaterinburg, 2004; Cambridge International Science, Cambridge, 2007).Google Scholar
  44. 44.
    W. A. Harrison and G. K. Straub, Phys. Rev. B: Condens. Matter 36(5), 7668 (1987).CrossRefGoogle Scholar
  45. 45.
    G. K. Straub and W. A. Harrison, Phys. Rev. B: Condens. Matter 31(12) 7668 (1985).ADSCrossRefGoogle Scholar

Copyright information

© Pleiades Publishing, Ltd. 2013

Authors and Affiliations

  1. 1.Ioffe Physical-Technical InstituteRussian Academy of SciencesSt. PetersburgRussia

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