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First-principles investigations of electronic properties and optical spectra of Cd1−xMnxTe dilute magnetic semiconductors

  • A. Gueddim
  • M. E. Madjet
  • S. Zerroug
  • N. Bouarissa
Article

Abstract

The dependence of the structural and electronic band structure parameters as well as the optical spectra in zinc-blende Cd1−xMnxTe dilute magnetic semiconductors on the Mn molar fraction in the experimentally realistic range, 0 ≤ x ≤ 0.125, is computed. Our calculations are performed using the full potential linear augmented plane wave method based on density functional theory within a few different generalized gradient approximation approaches. Our findings are in good agreement with published experimental results. The behavior of the band structure parameters and the optical spectra of interest with increasing Mn content is examined and discussed. The information obtained in the present study can be useful for photovoltaic devices in the visible/ultraviolet spectral region.

Keywords

Electronic structure Optical properties Magnetic semiconductors Photovoltaic 

Notes

Acknowledgements

The author N.B. gratefully acknowledges the financial support from Qatar Environment and Energy Research Institute (QEERI).

References

  1. Awschalom, D.D., Flatte, M.E.: Challenges for semiconductor spintronics. Nat. Phys. 3, 153–159 (2007)CrossRefGoogle Scholar
  2. Awschalom, D.D., Kawakami, R.K.: Magnetoelectronics-teaching magnets new tricks. Nature 408, 923–924 (2000)ADSCrossRefGoogle Scholar
  3. Balzarotti, A., Czyzyk, M., Kisiel, A., Motta, N., Podgorny, M., Starnawska, M.Z.: Local structure of ternary semiconducting random solid solutions: extended x-ray absorption fine structure of Cd1−xMnxTe. Phys. Rev. B 30, 2295(R)–2298(R) (1984)ADSCrossRefGoogle Scholar
  4. Blaha, P., Schwarz, K., Madsen, G.K.H., Kvasnicka, D., Luitz, J.: WIEN2 K, An Augmented Plane Wave + Local Orbitals Program for Calculating Crystal Properties, edited by Karlheinz Schwarz. Techn. Universität, Wien (2001). ISBN 3-9501031-1-2Google Scholar
  5. Bouarissa, N.: The effect of hydrostatic pressure on the electronic and optical properties of InP. Solid-State Electron. 44, 2193–2198 (2000)ADSCrossRefGoogle Scholar
  6. Chadi, D.J., Walter, J.P., Cohen, M.L., Petroff, Y., Balkanski, M.: Reflectivities and electronic band structures of CdTe and HgTe. Phys. Rev. B 5, 3058–3064 (1972)ADSCrossRefGoogle Scholar
  7. Dietl, T., Ohno, H., Matsukura, F., Cibert, J., Ferrand, D.: Zener model description of ferromagnetism in zinc-blende magnetic semiconductors. Science 287, 1019–1022 (2000)ADSCrossRefGoogle Scholar
  8. Furdyna, J.K.: Diluted magnetic semiconductors. J. Appl. Phys. 64, R29–R64 (1988)ADSCrossRefGoogle Scholar
  9. Furdyna, J.K., Kossut, J. (eds.): Semiconductors and Semimetals, vol. 25, Diluted Magnetic Semiconductors. Academic Press, New York (1988)Google Scholar
  10. Gueddim, A., Zerroug, S., Bouarissa, N.: Optical characteristics of ZnTe1−xOx alloys from first-principles calculations. J. Lumin. 135, 243–247 (2013)CrossRefGoogle Scholar
  11. Hannachi, L., Bouarissa, N.: Band parameters for cadmium and zinc chalcogenide compounds. Phys. B 404, 3650–3654 (2009)ADSCrossRefGoogle Scholar
  12. Hwang, Y., Um, Y., Park, H.: Photoluminescence characteristics of Cd1−xMnxTe single crystals grown by the vertical Bridgman method. Nanoscale Res. Lett. 7, 36 (2012)ADSCrossRefGoogle Scholar
  13. Kavokin, K.V., Merkulov, I.A., Yakovlev, D.R., Ossau, W., Landwehr, G.: Exciton localization in semimagnetic semiconductors probed by magnetic polarons. Phys. Rev. B 60, 16499–16505 (1999)ADSCrossRefGoogle Scholar
  14. Kim, K.H., Bolotnikov, A.E., Camarda, G.S., Yang, G., Hossain, A., Cui, Y., James, R.B., Hong, J., Kim, S.U.: Energy-gap dependence on the Mn mole fraction and temperature in CdMnTe crystal. J. Appl. Phys. 106, 023706-1–023706-7 (2009)ADSGoogle Scholar
  15. Lee, Y.R., Ramdas, A.K.: A piezomodulation study of the absorption edge and Mn++ internal transition in Cd1−xMnxTe, a prototype of diluted magnetic semiconductors. Solid State Commun. 51, 861–863 (1984)ADSCrossRefGoogle Scholar
  16. Madelung, O., Schulz, M., Weiss, H. (eds.): Numerical Data and Functional Relationships in Science and Technology, vol. 17. Springer, Berlin (1982)Google Scholar
  17. Murnaghan, F.D.: Proc. Natl. Acad. Sci. U.S.A. 30, 5390 (1944)Google Scholar
  18. Mycielski, A., Kowalczyk, L., Galazka, R.R., Sobolewski, R., Wang, D., Burger, A., Sowinska, M., Groza, M., Siffert, P., Szadkowski, A., Witkowska, B., Kaliszek, W.: Applicaions of II–VI semimagnetic semiconductors. J. Alloys Compd. 423, 163–168 (2006)CrossRefGoogle Scholar
  19. Ohno, H.: Making nonmagnetic semiconductors ferromagnetic. Science 281, 951–956 (1998)ADSCrossRefGoogle Scholar
  20. Perdew, J.P., Burke, K., Ernzerhof, M.: Generalized gradient approximation made simple. Phys. Rev. Lett. 77, 3865–3868 (1996)ADSCrossRefGoogle Scholar
  21. Perkowitz, S., Sudharsanan, R., Wrobel, J.M., Clayman, B.P., Becla, P.: Effective charge and ionicity in Cd1−xMnxTe. Phys. Rev. B 38, 5565–5567 (1988)ADSCrossRefGoogle Scholar
  22. Sharma, S., Devi, N., Verma, U.P., RajaRam, P.: Ab-initio investigations of structural, electronic, magnetic and optical properties of ferromagnetic Cd1−xMnxTe. Phys. B 406, 4547–4553 (2011)ADSCrossRefGoogle Scholar
  23. Tran, F., Blaha, P.: Accurate band gaps of semiconductors and insulators with a semilocal exchange-correlation potential. Phys. Rev. Lett. 102, 226401–226405 (2009)ADSCrossRefGoogle Scholar
  24. Triboulet, R., Siffert, P.: CdTe and related compounds; physics, defects, hetero-and nano-structures, crystal growth, surfaces and applications, part I, physics, CdTe-based nanostructures, CdTe based semimagnetic semiconductors, defects. Elsevier, Amsterdam (2010)Google Scholar
  25. Wei, S.H., Zunger, A.: Total-energy and band-structure calculations for the semimagnetic Cd1−xMnxTe semiconductor alloy and its binary constituents. Phys. Rev. B 35, 2340–2365 (1987)ADSCrossRefGoogle Scholar
  26. Wei, S.-H., Gong, X.G., Dalpian, G.M., Wei, S.-H.: First-principles study of Mn-induced local magnetic moments in host semiconductors. Phys. Rev. B 71, 144409 (2005)ADSCrossRefGoogle Scholar
  27. Wolf, S.A., Awschalom, D.D., Buhrman, R.A., Daughton, J.M., von Molnár, S., Roukes, M.L., Chtchelkanova, A.Y., Treger, D.M.: Spintronics: a spin-based electronics vision for the future. Science 294, 1488–1495 (2001)ADSCrossRefGoogle Scholar
  28. Wu, Z., Cohen, R.E.: More accurate generalized gradient approximation for solids. Phys. Rev. B 73, 235116 (2006)ADSMathSciNetCrossRefGoogle Scholar

Copyright information

© Springer Science+Business Media New York 2016

Authors and Affiliations

  • A. Gueddim
    • 1
  • M. E. Madjet
    • 2
  • S. Zerroug
    • 3
    • 4
  • N. Bouarissa
    • 5
  1. 1.Materials Science and Informatics Laboratory, Faculty of ScienceUniversity of DjelfaDjelfaAlgeria
  2. 2.Qatar Environment and Energy Research Institute (QEERI)DohaQatar
  3. 3.Département des Troncs Communs, Faculté des Sciences de la Nature et de la VieUniversité de BejaiaBéjaïaAlgeria
  4. 4.Laboratoire d′optoélectronique et composants, Département de PhysiqueUniversité de SétifSétifAlgeria
  5. 5.Laboratory of Materials Physics and its ApplicationsUniversity of M′silaM′SilaAlgeria

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