Advertisement

The structural, elastic, electronic, magnetic and optical properties of the Zn0.75V0.25X (X = S, Se or Te)

  • Zhong-Ying Feng
  • Yan Yang
  • Jian-Min Zhang
Article

Abstract

The structural, elastic, electronic, magnetic and optical properties of the Zn0.75V0.25X (X = S, Se or Te) have been investigated by the spin-polarized first-principles calculations. The optimized lattice constant increases with the increasing anions radius of S2−, Se2− and Te2−. All the Zn0.75V0.25X systems show the ductile and half-metallic characters. The spin exchange splitting energy \({\Delta _x}(d)\) increases but the absolute value of the exchange splitting energy \({\Delta _x}(pd)\) decreases for Zn0.75V0.25S, Zn0.75V0.25Se and Zn0.75V0.25Te successively, and the pd exchange constant \({N_0}\beta\) is greater than sd exchange constant \({N_0}\alpha\). The static dielectric constants \({\varepsilon _1}(0)\), the maximum value of \({\varepsilon _2}(\omega )\), static refractive indexes \(n(0)\) and the maximum value of \(k(\omega )\) get the biggest values for Zn0.75V0.25Se among Zn0.75V0.25X (X = S, Se or Te). Compared with pure ZnX, the new absorption peaks occur in the energy range of 0–1.4 eV for Zn0.75V0.25X systems. The results provide a certain degree of helpful theoretical guidance for the application of the Zn0.75V0.25X in spintronics devices and optical detectors.

Notes

Acknowledgements

The authors would like to acknowledge the Fundamental Research Funds for the Central Universities (Grant Nos. 2017TS004, 2017TS006 and GK201704005) for providing financial support for this research.

References

  1. 1.
    S. Okur, N. Uzar, N. Tekguzel, A. Erol, M.C. Arıkan, S. Okur, N. Uzar, N. Tekguzel, A. Erol, M.C. Arıkan, Physica E 44, 1103 (2012)CrossRefGoogle Scholar
  2. 2.
    N. Uzar, S. Okur, M.C. Arıkan, Sens. Actuators A 167, 188 (2011)CrossRefGoogle Scholar
  3. 3.
    V. Dimitrova, J. Tate, Thin Solid Films 365, 134 (2000)CrossRefGoogle Scholar
  4. 4.
    D.A. Reddy, G. Murali, R.P. Vijayalakshmi, B.K. Reddy, Appl. Phys. A 105, 119 (2011)CrossRefGoogle Scholar
  5. 5.
    M.M. Rashad, D.A. Rayan, K. El-Barawy, J. Phys. Conf. Ser. 200, 072077 (2010)CrossRefGoogle Scholar
  6. 6.
    Y.N. Li, C.B. Cao, Z. Chen, Chem. Phys. Lett. 517, 55 (2011)CrossRefGoogle Scholar
  7. 7.
    S.P. Patel, J.C. Pivin, A.K. Chawla, R. Chandra, D. Kanjilal, L. Kumar, J. Magn. Magn. Mater. 323, 2734 (2011)CrossRefGoogle Scholar
  8. 8.
    J. Xie, J. Magn. Magn. Mater. 322, L37 (2010)CrossRefGoogle Scholar
  9. 9.
    Y. Saeed, S. Nazir, A.H. Reshak, A. Shaukat, J. Alloys Compd. 508, 245 (2010)CrossRefGoogle Scholar
  10. 10.
    S. Amari, S. Mecabih, B. Abbar, B. Bouhafs, J. Magn. Magn. Mater. 324, 2800 (2012)CrossRefGoogle Scholar
  11. 11.
    Q. Mahmood, A. Javed, G. Murtaza, S.M. Alay-e-Abbas, Mater. Chem. Phys. 162, 831 (2015)CrossRefGoogle Scholar
  12. 12.
    J. Eilers, E. Groeneveld, C.D.M. Donegáand, A. Meijerink, J. Phys. Chem. Lett. 3, 1663 (2012)CrossRefGoogle Scholar
  13. 13.
    T. Baron, K. Saminadayar, N. Magnea, J. Appl. Phys. 83, 1354 (1998)CrossRefGoogle Scholar
  14. 14.
    D. Soundarajan, D. Mangalaraj, D. Nataraj, L. Dorosinskii, K.H. Kim, Mater. Lett. 87, 113 (2012)CrossRefGoogle Scholar
  15. 15.
    R. Khenata, A. Bouhemadou, M. Sahnoun, A.H. Reshak, H. Baltache, M. Rabah, Comput. Mater. Sci. 38, 29 (2006)CrossRefGoogle Scholar
  16. 16.
    H. Shoren, F. Ikemoto, K. Yoshida, N. Tanaka, K. Motizuki, Physica E 10, 242 (2001)CrossRefGoogle Scholar
  17. 17.
    D. Soundararajan, D. Mangalaraj, D. Nataraj, L. Dorosinskii, J. Santoyo-Salazar, H.C. Jeon, T.W. Kang, Appl. Surf. Sci. 255, 7517 (2009)CrossRefGoogle Scholar
  18. 18.
    D. Soundararajan, D. Mangalaraj, D. Nataraj, L. Dorosinskii, J. Santoyo-Salazar, M.J. Riley, J. Magn. Magn. Mater. 321, 4108 (2009)CrossRefGoogle Scholar
  19. 19.
    Q. Mahmood, M. Hassan, J. Alloys Compd. 704, 659 (2017)CrossRefGoogle Scholar
  20. 20.
    M. Abdulsalam, D. Joubert, Comput. Mater. Sci. 115, 177 (2016)CrossRefGoogle Scholar
  21. 21.
    G. Jaiganesh, S.M. Jaya, J. Magn. Magn. Mater. 418, 148 (2016)CrossRefGoogle Scholar
  22. 22.
    Q. Mahmood, M. Hassan, M.A. Faridi, B. Sabir, G. Murtaza, A. Mahmood, Curr. Appl. Phys. 16, 549 (2016)CrossRefGoogle Scholar
  23. 23.
    Y.H. Huang, W.Q. Jie, G.Q. Zha, J. Alloys Compd. 539, 271 (2012)CrossRefGoogle Scholar
  24. 24.
    Z.H. Yin, J.M. Zhang, K.W. Xu, Mod. Phys. Lett. B 30, 1650249 (2016)CrossRefGoogle Scholar
  25. 25.
    M.E.A. Monir, H. Baltache, R. Khenata, G. Murtaza, R. Ahmed, W.K. Ahmed, S.B. Omran, A. Bouhemadou, Int. J. Mod. Phys. B 30, 1650034 (2016)CrossRefGoogle Scholar
  26. 26.
    M.E.A. Monir, H. Baltache, G. Murtaza, R. Khenata, W.K. Ahmed, A. Bouhemadou, S.B. Omran, T. Seddik, J. Magn. Magn. Mater. 374, 50 (2015)CrossRefGoogle Scholar
  27. 27.
    M.E.A. Monir, H. Baltache, R. Khenata, G. Murtaza, S. Azam, A. Bouhemadou, Y. Al-Douri, S.B. Omran, R. Ali, J. Magn. Magn. Mater. 378, 41 (2015)CrossRefGoogle Scholar
  28. 28.
    X.F. Zeng, T.W. Zhou, C.Q. Leng, Z.G. Zang, M. Wang, W. Hu, X.S. Tang, S.R. Lu, L. Fang, M. Zhou, J. Mater. Chem. A 5, 17499 (2017)CrossRefGoogle Scholar
  29. 29.
    G. Kresse, J. Furthmüller, Comput. Mater. Sci. 6, 15 (1996)CrossRefGoogle Scholar
  30. 30.
    G. Kresse, J. Furthmüller, Phys. Rev. B 54, 11169 (1996)CrossRefGoogle Scholar
  31. 31.
    G. Kresse, J. Hafner, Phys. Rev. B 47, 558 (1993)CrossRefGoogle Scholar
  32. 32.
    G. Kresse, D. Joubert, Phys. Rev. B 59, 1758 (1999)CrossRefGoogle Scholar
  33. 33.
    J.P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996)CrossRefGoogle Scholar
  34. 34.
    W.Z. Xiao, L.L. Wang, Q.Y. Rong, G. Xiao, B. Meng, J. Appl. Phys. 115, 213905 (2014)CrossRefGoogle Scholar
  35. 35.
    A. Souidi, S. Bentata, W. Benstaali, B. Bouadjemi, A. Abbad, T. Lantri, Mater. Sci. Semicond. Process. 43, 196 (2016)CrossRefGoogle Scholar
  36. 36.
    J. Heyd, G.E. Scuseria, M. Ernzerhof, J. Chem. Phys. 118, 8207 (2003)CrossRefGoogle Scholar
  37. 37.
    H.J. Monkhorst, J.D. Pack, Phys. Rev. B 13, 5188 (1976)CrossRefGoogle Scholar
  38. 38.
    F. Birch, Phys. Rev. 71, 809 (1947)CrossRefGoogle Scholar
  39. 39.
    S. Ves, U. Schwarz, N.E. Christensen, K. Syassen, M. Cardona, Phys. Rev. B 42, 9113 (1990)CrossRefGoogle Scholar
  40. 40.
    M.I. Mc Mahon, R.J. Nelmes, D.R. Allan, S.A. Belmonte, T. Bovomratanaraks, Phys. Rev. Lett. 80, 5564 (1998)CrossRefGoogle Scholar
  41. 41.
    O. Madelung (ed.), Numerical Data and Functional Relationship in Science and Technology, Landolt_Börnstein, New Series Group III, vol 17 (Springer, Berlin, 1982)Google Scholar
  42. 42.
    R. Hill, F. Milstein, Phys. Rev. B 15, 3087 (1977)CrossRefGoogle Scholar
  43. 43.
    Z. Wu, E. Zhao, H. Xiang, X. Hao, X. Liu, J. Meng, Phys. Rev. B 76, 054115 (2007)CrossRefGoogle Scholar
  44. 44.
    Y.H. Huang, W.Q. Jie, Y. Zhou, G.Q. Zha, J. Alloys Compd. 549, 184 (2013)CrossRefGoogle Scholar
  45. 45.
    A. Reuss, Z. Angew, Math. Mech. 9, 49 (1929)Google Scholar
  46. 46.
    Q.J. Liu, Z.T. Liu, L.P. Feng, J. China Three Gorges Univ. 32, 75 (2010)Google Scholar
  47. 47.
    Y.H. Huang, W.Q. Jie, L.Y. Xu, J.N. Luo, J. Synth. Cryst. 42, 1046 (2013)Google Scholar
  48. 48.
    Z. Zhou, B. Joos, Phys. Rev. B 54, 3841 (1996)CrossRefGoogle Scholar
  49. 49.
    S.F. Pugh, Philos. Mag. 7, 823 (1954)CrossRefGoogle Scholar
  50. 50.
    B.H. Lee, J. Appl. Phys. 41, 2988 (1970)CrossRefGoogle Scholar
  51. 51.
    R.A. Pollak, L. Ley, S.P. Kowalczyk, D.A. Shirley, J. Joannopoulos, D.J. Chadi, M.L. Cohen, Phys. Rev. Lett. 29, 1103 (1973)CrossRefGoogle Scholar
  52. 52.
    H. Venghaus, Phys. Rev. B 19, 3071 (1979)CrossRefGoogle Scholar
  53. 53.
    R.G. Lempert, K.C. Hass, H. Ehrenreich, Phys. Rev. B 36, 1111 (1987)CrossRefGoogle Scholar
  54. 54.
    R.J. Soulen, J.M. Byers, M.S. Osofsky, B. Nadgorny, T. Ambrose, S.F. Cheng, P.R. Broussard, C.T. Tanaka, J. Nowak, J.S. Moodera, A. Barry, J.M.D. Coey, Science 282, 85 (1998)CrossRefGoogle Scholar
  55. 55.
    S. Amari, S. Mecabih, B. Abbar, B. Bouhafs, Comput. Mater. Sci. 50, 2785 (2011)CrossRefGoogle Scholar
  56. 56.
    J.A. Gaj, R. Planel, G. Fishman, Solid State Commun. 29, 435 (1979)CrossRefGoogle Scholar
  57. 57.
    L. Guo, S.T. Zhang, W.J. Feng, G. Hu, J. Mater. Sci. 49, 1205 (2014)CrossRefGoogle Scholar
  58. 58.
    D. Jana, C.L. Sun, L.C. Chen, Prog. Mater. Sci. 58, 565 (2013)CrossRefGoogle Scholar
  59. 59.
    C. Tan, C. Qin, B. Sadtler, J. Mater. Chem. C 5, 5628 (2017)CrossRefGoogle Scholar

Copyright information

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

Authors and Affiliations

  1. 1.College of Physics and Information TechnologyShaanxi Normal UniversityXi’anPeople’s Republic of China
  2. 2.Department of ScienceTaiyuan Institute of TechnologyTaiyuanPeople’s Republic of China
  3. 3.Department of Physics, College of ScienceNorth University of ChinaTaiyuanPeople’s Republic of China

Personalised recommendations