Skip to main content
SpringerLink
Log in

Electronic structure and magnetization of Zn1-xCoxO ternary alloys with zinc-blende, rocksalt and wurtzite phases

  • Published:
Optical and Quantum Electronics Aims and scope Submit manuscript

Abstract

First-principles all electrons density-functional calculations for the band structure and magnetization of Zn1−xCoxO ternary magnetic alloys, in three phases namely zinc-blende, rocksalt and wurtzite have been reported. The computations are spin-polarized. An inspection of our electronic properties showed that the alloy system of interest exhibits a semiconducting character where the nature of the gap depends on the considered phase. An analysis of electronic charge density suggests that the bonding has a partially covalent character for ZnO which becomes weaker as far as the Co concentration increases. CoO is found to reach a total magnetization of 3 μB per cell for zinc-blende and rocksalt phases and 6 μB per cell for wurtzite phase.

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

Fig. 1
Fig. 2
Fig. 3
Fig. 4
Fig. 5

Similar content being viewed by others

References

  • Adachi, S.: Properties of Group-IV, III-V, and II-VI Semiconductors. Wiley, Chichester (2005)

    Book  Google Scholar 

  • Adachi, S.: Properties of Semiconductor Alloys: Group-IV, III-V and II-VI Semiconductors. John Wiley & Sons Ltd., Chichester (2009)

    Book  Google Scholar 

  • Algarni, H., Gueddim, A., Bouarissa, N., Khan, M.A., Ziani, H.: Res. Phys. 15, 102694–102698 (2019)

    Google Scholar 

  • Amita, G., Novel room temperature ferromagnetic semiconductors, United States: N. P., 2004.Web.DOI:https://doi.org/10.2172/878314

  • Benmakhlouf, F., Bechiri, A., Bouarissa, N.: Solid State Electron. 47, 1335–1338 (2003)

    Article  ADS  Google Scholar 

  • Blaha, P., Schwarz, K., Madsen, G.K.H., Kvasnicka, D., Luitz, J.: WIEN2K, An Augmented Plane Wave + Local Orbitals Program for Calculating Crystal Properties, edited by Karlheinz Schwarz. Techn. Universität, Wien, Austria (2008)

    Google Scholar 

  • Bouarissa, N.: Phys. Lett. A 245, 285–291 (1998a)

    Article  ADS  Google Scholar 

  • Bouarissa, N.: Infrared Phys. Technol. 39, 265–270 (1998b)

    Article  ADS  Google Scholar 

  • Bouarissa, N.: Mater. Chem. Phys. 65, 107–112 (2000)

    Article  Google Scholar 

  • Bouarissa, N.: Phys. Status Solidi B 231, 391–402 (2002)

    Article  ADS  Google Scholar 

  • Bouarissa, N.: J. Phys. Chem. Solid. 67, 1440–1443 (2006)

    Article  ADS  Google Scholar 

  • Bouarissa, N., Annane, F.: Mater. Sci. Eng. B 95, 100–106 (2002)

    Article  Google Scholar 

  • Bouarissa, A., Layadi, A., Maghraoui-Meherzi, H.: Appl. Phys. A 126, 93 (2020)

    Article  ADS  Google Scholar 

  • Cohen, M.L., Chelikowsky, J.R.: Electronic Structure and Optical Properties of Semiconductors. Springer-Verlag, Berlin (1989)

    Book  Google Scholar 

  • Daoud, S., Bioud, N., Bouarissa, N.: Mater. Sci. Semicond. Process. 31, 124–130 (2015)

    Article  Google Scholar 

  • Deng, X., Tüysüz, H.: ACS Catal. 4, 3701–3714 (2014)

    Article  Google Scholar 

  • Dietl, T., Ohno, H., Matsukura, F.: Phys. Rev. B 63, 195205 (2001)

    Article  ADS  Google Scholar 

  • Dinia, A., Ayoub, J.P., Schmerber, G., Beaurepaire, E., Muller, D., Grob, J.J.: Phys. Lett. A 333, 152–156 (2004)

    Article  ADS  Google Scholar 

  • Hannachi, L., Bouarissa, N.: Phys. B 404, 3650–3654 (2009)

    Article  ADS  Google Scholar 

  • Harrache, Y., Bouarissa, N.: Solid State Commun. 295, 26–31 (2019)

    Article  ADS  Google Scholar 

  • P. Hohenberg, W. Kohn, Phys. Rev. 136 (1964) B 864

  • Jagadish, C., Pearton, S.J.: Zinc Oxide Bulk. Thin Films and Nanostructures, New York, Elsevier (2006)

    Google Scholar 

  • Janotti, A., Van de Walle, C.G.: Rep. Prog. Phys. 72, 126501 (2009)

    Article  ADS  Google Scholar 

  • Jardow, N.N., Othman, M.S., Habubi, N.F., Chiad, S.S., Mishjil, K.A., Al-Baidhany, I.A.: Mater. Res. Exp. 6, 116434 (2019)

    Article  Google Scholar 

  • Jauch, W., Reehuis, M.: Phys. Rev. B 65, 125111 (2002)

    Article  ADS  Google Scholar 

  • Kannan, R., Seehra, M.S.: Phys. Rev. B 35, 6847–6853 (1987)

    Article  ADS  Google Scholar 

  • Kassali, K., Bouarissa, N.: Microelectron. Eng. 54, 277–286 (2000)

    Article  Google Scholar 

  • Kim, K.J., Park, Y.R.: Appl. Phys. Lett. 81, 1420–1422 (2002)

    Article  ADS  Google Scholar 

  • Kohn, W., Sham, L.S.: Phys. Rev. 140, A1133 (1965)

    Article  ADS  Google Scholar 

  • Lotin, A.A., Novodvorsky, O.A., Rylkov, V.V., Zuev, D.A., Khramova, O.D., Pankov, M.A., Aronzon, B.A., Semisalova, A.S., Perov, N.S., Lashkul, A., Lahderanta, E., Panchenko, V.Y.: Semiconductors 48, 538–544 (2014)

    Article  ADS  Google Scholar 

  • Martin, R.M.: Electronic Structure: Basic Theory and Practical Methods. University Press, Cambridge (2004)

    Book  MATH  Google Scholar 

  • Monkhorst, H.J., Pack, J.D.: Phys. Rev. B 13, 5188–5192 (1976)

    Article  ADS  MathSciNet  Google Scholar 

  • Moulai, N., Bouarissa, N., Lagoun, B., Kendil, D.: J. Supercond. Nov. Magn. 32, 1077–1083 (2019)

    Article  Google Scholar 

  • Neogi, S.K., Karnakar, R., Misra, A.K., Banerjee, A., Das, D., Bandyopodhyay, S.: J. Magn. Magn. Mater. 346, 130–137 (2013)

    Article  ADS  Google Scholar 

  • Ogale, S.B.: Thin Films and Heterostructures for Oxide Electronics. Springer, New York (2005)

    Book  Google Scholar 

  • Ohno, H.: J. Magn. Magn. Mater. 200, 110–129 (1999)

    Article  ADS  Google Scholar 

  • Othman M. SH., J. Modern Phys. 4 (2013) 185–190

  • Othman, MSh.: Aro-the Scientific J. Koya University 8, 29–33 (2020)

    Article  Google Scholar 

  • Othman, M., Salih, S., Sedighi, M., Kasap, E.: Res. Phys. 14, 102400 (2019)

    Google Scholar 

  • Pack, J.D., Monkhorst, H.J.: Phys. Rev. B 16, 1748–1749 (1977)

    Article  ADS  Google Scholar 

  • Richardson, S.L., Cohen, M.L., Louie, S.G., Chelikowsky, J.R.: Phys. Rev. B 33, 1177–1182 (1986)

    Article  ADS  Google Scholar 

  • Saib, S., Bouarissa, N.: J. Phys. Chem. Solid. 67, 1888–1892 (2006)

    Article  ADS  Google Scholar 

  • Saib, S., Bouarissa, N.: Phys. Status Solidi B 244, 1063–1069 (2007)

    Article  ADS  Google Scholar 

  • Saib, S., Bouarissa, N., Rodríguez-Hernández, P., Muñoz, A.: Phys. B 403, 4059–4062 (2008)

    Article  ADS  Google Scholar 

  • Saib, S., Bouarissa, N., Rodríguez-Hernández, P., Muñoz, A.: Eur. Phys. J. B 73, 185–1963 (2010)

    Article  ADS  Google Scholar 

  • Silinsky, P.S., Seehra, M.S.: Phys. Rev. B 24, 419–423 (1981)

    Article  ADS  Google Scholar 

  • Tortosa, M., Mollar, M., ManjÏŒn, F.J., Mari, B., Sánchez-Royo, J.F.: Phys. Status Solidi C 5, 3358–3360 (2008)

    Article  ADS  Google Scholar 

  • Tran, F., Blaha, P.: Phys. Rev. Lett. 102, 226401 (2009)

    Article  ADS  Google Scholar 

  • Vurgaftman, I., Meyer, J.R., Ram-Mohan, L.R.: J. Appl. Phys. 89, 5815–5875 (2001)

    Article  ADS  Google Scholar 

  • Walter, J.P., Cohen, M.L.: Phys. Rev. Lett. 26, 17–19 (1971)

    Article  ADS  Google Scholar 

  • Zerroug, S., Ali Sahraoui, F., Bouarissa, N.: Eur. Phys. J. B 57: 9–14 (2007)

  • Zerroug, S., Ali Sahraoui, F., Bouarissa, N.: Appl. Phys. A 97, 345–350 (2009)

    Article  ADS  Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Faculté Des Sciences, Université de Ammar Telidji Laghouat, 03000, Laghouat, Algérie

    K. Souleh & B. Lagoun

  2. Faculté de Technologie, Université de Djelfa, 17000, Djelfa, Algérie

    T. Smain

  3. Laboratoire D’étude Et Développement Des Matériaux Semi-Conducteurs Et Diélectriques, Université de Ammar Telidji Laghouat, 03000, Laghouat, Algérie

    H. Lidjici

  4. Laboratoire de Physique Des Matériaux, Université de Ammar Telidji Laghouat, 03000, Laghouat, Algérie

    B. Lagoun

  5. Physics Department, Faculty of Science, University of M’sila, 28000, M’sila, Algeria

    M. Boucenna

  6. Laboratory of Materials Physics and Its Applications, University of M’sila, 28000, M’sila, Algeria

    N. Bouarissa

Authors
  1. K. Souleh
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. T. Smain
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. H. Lidjici
    View author publications

    You can also search for this author in PubMed Google Scholar

  4. B. Lagoun
    View author publications

    You can also search for this author in PubMed Google Scholar

  5. M. Boucenna
    View author publications

    You can also search for this author in PubMed Google Scholar

  6. N. Bouarissa
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to N. Bouarissa.

Additional information

Publisher's Note

Springer Nature remains neutral with regard to jurisdictional claims in published maps and institutional affiliations.

Rights and permissions

Reprints and permissions

About this article

Check for updates. Verify currency and authenticity via CrossMark

Cite this article

Souleh, K., Smain, T., Lidjici, H. et al. Electronic structure and magnetization of Zn1-xCoxO ternary alloys with zinc-blende, rocksalt and wurtzite phases. Opt Quant Electron 53, 432 (2021). https://doi.org/10.1007/s11082-021-02985-x

Download citation

  • Received:

  • Accepted:

  • Published:

  • DOI: https://doi.org/10.1007/s11082-021-02985-x

Keywords

Search

Navigation