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Mn Impurity in InN Nanoribbon: an Ab Initio Investigation

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Abstract

In the present work, we investigate the electronic structure and magnetism of InN nanoribbon doped with 3d Mn atoms in different positions by first-principle density functional calculations. The structural stability is described by using the calculated total energy of the doped nanoribbons including the antiferromagnetic (AFM) and the ferromagnetic (FM) coupled states. Our calculations show that the ground state is ferromagnetic regardless of the position of Mn atoms. The dependence of bandgap and spin polarization on Mn positions makes it possible to control the electronic properties by choosing the impurity position and applying these structures in nanoelectronics and spintronics.

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References

  1. Ismayilova, N.A., Jabarov, S.H.: First principles calculations of the magnetic properties of PbTi1-xMnxO3. Can. J. Phys. 100(9), 398–404 (2022)

  2. Kozlenko, D.P., Dang, N.T., Kichanov, S.E., Lukin, E.V., Pashayev, A.M., Mammadov, A.I., Jabarov, S.H., Dubrovinsky, L.S., Liermann, H.-P., Morgenroth, W., Mehdiyeva, R.Z., Smotrakov, V.G., Savenko, B.N.: Competing magnetic and structural states in multiferroic YMn2O5 at high pressure. Phys. Rev. B. 92, 134409 (2015)

  3. Hashimov, R.F.: First-principles calculations of the electronic spectrum and the density of states of the LaMnO3 crystal. Adv. Phys. Res. 3(1), 35–38 (2021)

  4. Dang, N.T., Zakhvalinskii, V.S., Kozlenko, D.P., Phan, T.-L., Kichanov, S.E., Trukhanov, S.V., Trukhanov, A.V., Nekrasova, Y.S., Taran, S.V., Ovsyannikov, S.V., Jabarov, S.H., Trukhanova, E.L.: Effect of Fe doping on structure, magnetic and electrical properties La0.7Ca0.3Mn0.5Fe0.5O3 manganite. Ceram. Int. 44(13), 14974–14979 (2018)

  5. Hashimov, R.F., Ismayilova, N.A., Mikailzade, F.A., Dashdemirov, A.O., Trukhanov, A.V., Trukhanov, S.V., Aliyev, Y.I., Asgerov, E.B., Jabarov, S.H., Dang, N.T.: Electronic structure and density of states in hexagonal BaMnO3. Mod. Phys. Lett. B. 32(17), 1850186 (2018)

  6. Bour, D.P., Nickel, N.M., Van de Walle, C.G., Kneissl, M.S., Krusor, B.S., Mei, P., Johnson, N.M.: Polycrystalline nitride semiconductor light-emitting diodes fabricated on quartz substrates. Appl. Phys. Lett. 76, 2182–2184 (2000)

  7. Kazazis, S.A., Papadomanolaki, E., Androulidaki, M., Tsagaraki, K., Kostopoulos, A., Aperathitis, E., Iliopoulos, E.: Effect of rapid thermal annealing on polycrystalline InGaN thin films deposited on fused silica substrates. Thin Solid Films. 611, 46–51 (2016)

  8. Yamada, K., Asahi, H., Tampo, H., Imanishi, Y., Ohnishi, K., Asami, K.: Strong photoluminescence emission from polycrystalline GaN layers grown on W, Mo, Ta, and Nb metal substrates. Appl. Phys. Lett. 78, 2849–2851 (2001)

  9. Kendrick, C.E., Anderson, P.A., Kinsey, R.J., Kennedy, V.J., Markwitz, A., Asadov, A., Gao, W., Reeves, R.J., Durbin, S.M.: Polycrystalline InGaN grown by MBE on fused silica glass. Phys. Status Solidi C 2(7), 2236–2239 (2005)

    Article  ADS  Google Scholar 

  10. Beierlein, T., Strite, S., Dommann, A., Buchs, N.-T., Smith, D.J.: Properties of InGaN deposited on glass at low temperature. MRS Internet J. Nitride Semicond. Res. 2, 31 (1997)

  11. Wu, J., Walukiewicz, W., Yu, K.M., Ager III, J.W., Haller, E.E., Lu, H., Schaff, W.J., Saito, Y., Nanishi, Y,: Unusual properties of the fundamental band gap of InN. Appl. Phys. Lett. 80, 3967–3969 (2002)

  12. Walukiewicz, W., Ager III, J.W., Yu, K.M., Liliental-Weber, Z., Wu, J., Li, S.X., Jones, R.E., Denlinger, J.D.: Structure and electronic properties of InN and In-rich group III-nitride alloys. J. Phys. D Appl. Phys. 39(5), R83 (2006)

  13. Davydov, V.Y., Klochikhin, A.A., Seisyan, R.P., Emtsev, V.V., Ivanov, S.V., Bechstedt, F., Furthmuller, J., Harima, H., Mudryi, A.V., Aderhold, J., Semchinova, O., Graul, J.: Absorption and emission of hexagonal InN. Evidence of narrow fundamental band gap. Phys. Status Solidi (b). 229(3), R1–R3 (2002)

  14. Palacios, T., Shen, L., Keller, S., Chakraborty, A., Heikman, S., DenBaars, S.P., Mishra, U.K., Liberis, J., Kiprijanovic, O., Matulionis, A.: Nitride-based high electron mobility transistors with a GaN spacer. Appl. Phys. Lett. 89, 073508 (2006)

  15. Bechstedt, F., Fuchs, F., Furthmüller, J.: Spectral properties of InN and its native oxide from first principles. Phys. Status Solidi A 207, 1041 (2010)

    Article  ADS  Google Scholar 

  16. Stoica, T., Meijers, R.J., Calarco, R., Richter, T., Sutter, E., Lüth, H.: Photoluminescence and intrinsic properties of MBE-grown InN nanowires. Nano Lett. 6, 1541–1547 (2006)

  17. Caliskan, S., Hazar, F.: First principles study on the spin unrestricted electronic structure properties of transition metal doped InN nanoribbons. Superlattices Microstruct. 84, 170–180 (2015)

  18. Das, A., Yadav, R.K.: Electronic and vibrational properties of pristine and Cd, Si, Zn and Ge-doped InN nanosheet: a first principle study. Struct. Chem. 32, 379–386 (2021)

  19. Matsuoka, T., Okamoto, H., Nakao, M., Harima, H., Kurimoto, E.: Optical bandgap energy of wurtzite InN. Appl. Phys. Lett. 81, 1246–1248 (2002)

  20. Osamura, K., Nakajima, K., Murakami, Y., Shingu, P.H., Ohtsuki, A.: Fundamental absorption edge in GaN, InN and their alloys. Solid State Commun. 11(5), 617–621 (1972)

  21. Ishitani, Y., Masuyama, H., Terashima, W., Yoshitani, M., Hashimoto, N., Che, S.B., Yoshikawa, A.: Phys. Status Solidi C. 2(7), 2276–2280 (2005)

  22. Porowski, S., Grzegory, I.: In: Edgar, J.H. (ed.) Properties of group III nitrides EMIS data reviews series, p. 82. British Institution of Electrical Engineers Pub, London (1994)

    Google Scholar 

  23. Chandiramouli, R., Sriram, S.: Investigation on band structure and electronic transport properties of indium nitride nanoribbon - a first-principles study. Superlattices Microstruct. 65, 22–34 (2014)

  24. Blöchl, P.E.: Projector augmented-wave method. Phys. Rev. B. 50, 17953–17979 (1994). http://quantumwise.com

  25. Monkhorst, H.J., Pack, J.D.: Special points for Brillouin-zone integrations. Phys. Rev. B. 13, 5188–5192 (1976)

  26. Hohenberg, P., Kohn, W.: Inhomogeneous electron gas. Phys. Rev. B. 136, 864–871 (1964)

  27. Wehling, T.O., Lichtenstein, A.I., Katsnelson, M.I.: Transition-metal adatoms on graphene: influence of local coulomb interactions on chemical bonding and magnetic moments. Phys. Rev. B. 84, 235110 (2011)

  28. Ismayilova, N.A., Asadullayeva, S.Q.: First principle calculation of magnetic properties of doped Mn:ZnGa2S4. J. Supercond. Nov. Magn. 35, 1107 (2022)

  29. Ismayilova, N.A., Abbasov, I.I.: First principle calculation of electronic, optical and magnetic properties of Zn1−xFexSe compound. Int. J. Mod. Phys. B. 35, 2150278 (2021)

  30. Asadullayeva, S., Ismayilova, N., Eyyubov, Q.: Optical and electronic properties of defect chalcopyrite ZnGa2Se4: experimental and theoretical investigations. Solid State Commun. 356, 114950 (2022)

  31. Qing, Lu., Kuikun, Gu., Tong, Yu., Liu, Yi., Zhang, M.: Mater. Lett. 245, 173 (2019)

    Google Scholar 

  32. Wolf, S.A., et al.: Spintronics: a spin-based electronics vision for the future. Science 294, 1488 (2001)

  33. Zuti, I., Fabian, J., Das Sarma, S.: Spintronics: fundamentals and applications. Rev. Mod. Phys. 76, 323 (2004)

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Ismayilova, N.A., Jahangirli, Z.A. & Jabarov, S.H. Mn Impurity in InN Nanoribbon: an Ab Initio Investigation. J Supercond Nov Magn 36, 1983–1990 (2023). https://doi.org/10.1007/s10948-023-06641-1

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  • DOI: https://doi.org/10.1007/s10948-023-06641-1

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