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Journal of Superconductivity and Novel Magnetism

, Volume 32, Issue 2, pp 229–235 | Cite as

Promising Graphene-Like Half-Metallic Nanosheets TM-InSe (TM = Mn, Fe, and Co) Induced by TM Adsorption

  • Jun LiuEmail author
  • Wei Kang
  • Ting-Yan Zhou
  • Chong-Geng Ma
Original Paper
  • 101 Downloads

Abstract

Several half-metallic graphene-like nanosheets, namely transition metal (TM)-adsorbed monolayers (TM-InSe, TM = Mn, Fe, and Co), are predicted by the first-principles calculations. Their structural, electric, and magnetic properties are studied in detail. The adsorption energies of these nanosheets are negative so that they have stable adsorption structures, indicating that it is possible to prepare them in experiments. The pristine InSe nanosheet is a typical semiconductor, but TM-InSe nanosheets are conductive. They are possible half-metallic 2D materials. Calculated total magnetic moments of TM-InSe nanosheets are about 5.18, 3.93, and 1.28 μB for TM = Mn, Fe, and Co, respectively. Their conductibility, half-metallicity, and magnetic moments come mainly from adsorbed TM ions, partially from In and Se ions. For Mn-InSe and Fe-InSe nanosheets, TM-3d4s and Se-4pz electrons enter into the molecular orbitals in high-spin sequence, but for the Co-InSe nanosheet, electrons enter into the molecular orbitals in lowspin sequence. Electronic structures of the Mn-InSe, Fe-InSe and Co-InSe nanosheets are σ1σ1d5d1σ*1 ↑, σ1σ1d5d2σ*1 ↑, and σ1σ1d5d4 ↓, respectively. The total moments 5.00, 4.00, and 1.00 μB of TM-InSe nanosheets based on these electronic structures are basically in accordance with calculated values, respectively.

Keywords

Graphene-like nanosheets Half-metallic 2D materials Spintronics Magnetic and electric properties 

Notes

Acknowledgements

The paper is supported by the Scientific Research Foundation for the Returned Overseas Chinese Scholars, State Education Ministry ([2014]1685); the National Natural Science Foundation of China (Grant Nos. 11204393 and 11047147); and the Chongqing Innovation Research Project for Graduate Students (Grant No. CYS17228)

References

  1. 1.
    Novoselov, K.S., Geim, A.K., Morozov, S.V., et al.: Science 306(5696), 666 (2004)ADSCrossRefGoogle Scholar
  2. 2.
    Anasori, B., Lukatskaya, M.R., Gogotsi, Y.: Nat. Rev. Mater. 2, 16098 (2017)ADSCrossRefGoogle Scholar
  3. 3.
    Wang, H., Feng, H., Li, J., et al.: Small 10(11), 2165 (2014)CrossRefGoogle Scholar
  4. 4.
    Chen, D., Chen, W., Ma, L., et al.: Mater. Today 17(4), 184 (2014)CrossRefGoogle Scholar
  5. 5.
    Boochani, A., Nowrozi, B., Khodadadi, J., et al.: J. Phys. Chem. C 121(7), 3978 (2017)CrossRefGoogle Scholar
  6. 6.
    Shahrokhi, M., Mortazavi, B.: Comput. Mater. Sci. 143, 103 (2018)CrossRefGoogle Scholar
  7. 7.
    Wang, B., Yuan, S., Li, Y., et al.: Nanoscale 9(17), 5577 (2017)MathSciNetCrossRefGoogle Scholar
  8. 8.
    Ji, M., Xia, J., Di, J., et al.: Chem. Eng. J. 331, 355 (2018)CrossRefGoogle Scholar
  9. 9.
    Zhang, L.Z., Wang, Z.F., Du, S.X., et al.: Phys. Rev. B 90(16), 161402 (2014)ADSCrossRefGoogle Scholar
  10. 10.
    Xie, S.Y., Li, X.B., Tian, W.Q., et al.: Phys. Rev. B 90(3), 035447 (2014)ADSCrossRefGoogle Scholar
  11. 11.
    Ma, Y.M., Wang, Y.C., Oganov, A.R., et al.: Phys. Rev. B 79(5), 054101 (2009)ADSCrossRefGoogle Scholar
  12. 12.
    Kashid, R.V., Late, D.J., Chou, S.S., et al.: Small 9(16), 2730 (2013)CrossRefGoogle Scholar
  13. 13.
    Li, H., Zhang, Q., Yap, C.C.R., et al.: Adv. Funct. Mater. 22(7), 1385 (2012)CrossRefGoogle Scholar
  14. 14.
    Sundaram, R.S., Engel, M., Lombardo, A., et al.: Nano Lett. 13(4), 1416 (2013)ADSCrossRefGoogle Scholar
  15. 15.
    Hu, P.A., Wang, L., Yoon, M., et al.: Nano Lett. 13(4), 1649 (2013)ADSCrossRefGoogle Scholar
  16. 16.
    Ateş, A., Yıldırım, M., Gürbulak, B.: Opt. Mater. 28(5), 488 (2006)ADSCrossRefGoogle Scholar
  17. 17.
    Bandurin, D.A., Tyurnina, A.V., Yu, G.L., et al.: Nat. Nanotechnol. 12, 223 (2017)ADSCrossRefGoogle Scholar
  18. 18.
    Lei, S., Ge, L., Najmaei, S., et al.: ACS Nano 8(2), 1263 (2014)CrossRefGoogle Scholar
  19. 19.
    Feng, W., Wu, J.B., Li, X., et al.: J. Mater. Chem. C 3(27), 7022 (2015)CrossRefGoogle Scholar
  20. 20.
    Segura, A., Mar, B., Martinez-Pastor, J., et al.: Phys. Rev. B 43(6), 4953 (1991)ADSCrossRefGoogle Scholar
  21. 21.
    Garni, S.E.A., Qasrawi A.F.: Funct. Mater. Lett. 09(02), 1650019 (2016)CrossRefGoogle Scholar
  22. 22.
    Lu, A.J., Zhang, R.Q., Lee, S.T.: Appl. Phys. Lett. 91(26), 263107 (2007)ADSCrossRefGoogle Scholar
  23. 23.
    Zhang, Z., Guo, W.: Phys. Rev. B 77(7), 439 (2011)Google Scholar
  24. 24.
    Guo, H.Y.: University of Science and Technology China (2014)Google Scholar
  25. 25.
    Kishore, M.R.A, Ravindran, P.: AIP Conf. Proc. 1832(1), 090029 (2017)CrossRefGoogle Scholar
  26. 26.
    Yang, Y., Guo, M., Zhang, G., et al.: Carbon 117, 120 (2017)CrossRefGoogle Scholar
  27. 27.
    Lei, J., Xu, M.C., Hu, S.J.: Appl. Surf. Sci. 416, 681 (2017)ADSCrossRefGoogle Scholar
  28. 28.
    Tang, W., Sun, M., Yu, J., Chou, J.P.: Appl. Surf. Sci. 427, 609 (2018)ADSCrossRefGoogle Scholar
  29. 29.
    Kresse, G., Furthmüller, J.: Comp. Mater. Sci. 6(1), 15 (1996)CrossRefGoogle Scholar
  30. 30.
    Kresse, G., Furthmüller, J.: Phys. Rev B 54(16), 11169 (1996)ADSCrossRefGoogle Scholar
  31. 31.
    Perdew, J.P, Burke, K., Ernzerhof, M.: Phys. Rev. Lett. 77(18), 3865 (1996)ADSCrossRefGoogle Scholar
  32. 32.
    Demirci, S., Avazlı, N., Durgun, E., et al.: Phys. Rev. B 95(11), 115 (2017)CrossRefGoogle Scholar
  33. 33.
    Coey, J.M.D., Venkatesan, M.: J. Appl. Phys. 91(10), 15 (2002)CrossRefGoogle Scholar
  34. 34.
    Kvashnin, D.G., Sorokin, P.B., Seifertc, G., et al.: Phys. Chem. Chem. Phys. 17, 28770 (2015)CrossRefGoogle Scholar
  35. 35.
    Harris, F.E.: . In: Advances in Quantum Chemistry, vol. 3, p 61 (1967)Google Scholar

Copyright information

© Springer Science+Business Media, LLC, part of Springer Nature 2018

Authors and Affiliations

  • Jun Liu
    • 1
    Email author
  • Wei Kang
    • 1
  • Ting-Yan Zhou
    • 1
    • 2
  • Chong-Geng Ma
    • 1
  1. 1.School of ScienceChongqing University of Posts and TelecommunicationsChongqingChina
  2. 2.School of Physics and Electrical ScienceZunyi Normal CollegeZunyiChina

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