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Journal of Superconductivity and Novel Magnetism

, Volume 31, Issue 10, pp 3263–3267 | Cite as

Study of Electronic, Magnetic, and Thermoelectric Properties of 24 Valence-Electron Fe2TiSn Heusler Compound Using Modified Becke-Johnson Scheme

  • Idris Hamid Bhat
  • Tahir Mohiuddin Bhat
  • Dinesh C. Gupta
Original Paper
  • 70 Downloads

Abstract

The first-principle investigation of electronic and transport properties of 24 valence-electron Fe2TiSn Heusler compound have been carried out using modified Becke-Johnson scheme. The compound possesses Fm-3m structure configuration in the ground state. Spin-polarized electronic calculations reveal Fe2TiSn is a semiconductor in both the spin configurations with a total magnetic moment as 0μB, which is consistent with the Slater-Pauling rule. The thermoelectric properties were calculated by means of the semiclassical Boltzmann transport theory. The average values of electrical conductivity, thermal conductivity, and Seebeck coefficient at 300, 600, and 900 K temperatures versus chemical potential are reported and discussed in detail. Further, the results show the possibility to create n-type and p-type thermoelectrics within one type of Heusler compound. The large Seebeck coefficient advocates the compounds to be good for thermoelectric applications.

Keywords

Transport properties Seebeck coefficient Magnetic Electronic structure Heusler alloys 

Notes

Acknowledgments

The authors acknowledge the University Grants Commission (UGC), New Delhi for financial support to the present work.

References

  1. 1.
    Faleev, S.V., Léonard, F.: Phys. Rev. B 77, 214304 (2008)ADSCrossRefGoogle Scholar
  2. 2.
    Zebarjadi, M., Esfarjani, K., Dresselhaus, M.S., Ren, Z.F., Chen, G.: Energy Environ. Sci. 5, 5147 (2012)CrossRefGoogle Scholar
  3. 3.
    Makongo, J.P.A., Misra, D.K., Zhou, X., Pant, A., Shabetai, M.R., Su, X., Uher, C., Stokes, K.L., Poudeu, P.F.P.: J. Am. Chem. Soc. 133, 18843 (2011)CrossRefGoogle Scholar
  4. 4.
    Clup, S.R., Poon, S.J., Hickman, N., Tritt, T.M., Blumm, J.: Appl. Phys. Lett. 88(4), 042106 (2006)ADSCrossRefGoogle Scholar
  5. 5.
    Uher, C., Yang, J., Hu, S., Morelli, D.T., Meisner, G.P.: Phys. Rev. B 59, 8615 (1999)ADSCrossRefGoogle Scholar
  6. 6.
    Hohl, H., Ramirez, A.P., Goldmann, C., Ernst, G., Wölfing, B., Bucher, E.: J. Phys.: Condens. Matter 11, 1697 (1999)ADSGoogle Scholar
  7. 7.
    Bhattacharya, S., Pope, A.L., Littleton, R.T. IV, Tritt, T.M., Ponnambalam, V., Xia, Y., Poon, S.J.: Appl. Phys. Lett. 77, 2476 (2000)ADSCrossRefGoogle Scholar
  8. 8.
    Poon, S.J.: Recent trends in thermoelectric materials research II. Semiconduct. Semimet. 70, 37 (2001)CrossRefGoogle Scholar
  9. 9.
    Gupta, D.C., Bhat, I.H.: J. Alloys Comput. 575, 292 (2013)CrossRefGoogle Scholar
  10. 10.
    Gupta, D.C., Bhat, I.H.: Mater. Sci. Eng. B 193, 70 (2015)CrossRefGoogle Scholar
  11. 11.
    Bhat, I.H., Yousuf, S., Bhat, T.M., Gupta, D.C.: J. Magn. Magn. Mater. 395, 81 (2015)ADSCrossRefGoogle Scholar
  12. 12.
    Nishino, Y., Kato, H., Kato, M.: Phys. Rev. B 63, 233303 (2001)ADSCrossRefGoogle Scholar
  13. 13.
    Watson, R.E., Weinert, M., Alatalo, M.: Phys. Rev. B 57, 12134 (1998)ADSCrossRefGoogle Scholar
  14. 14.
    Wurmehl, S., Kandpal, H.C., Fecher, G.H., Felser, C.: J. Phys.: Condens. Matter 18, 6171 (2006)ADSGoogle Scholar
  15. 15.
    Pickett, W.E.: Phys. Rev. B 57, 10613 (1998)ADSCrossRefGoogle Scholar
  16. 16.
    Guo, G.Y., Botton, G.A., Nishino, Y.: J. Phys.: Condens. Matter 10, L119 (1998)ADSGoogle Scholar
  17. 17.
    Singh, D.J., Mazin, I.I.: Phys. Rev. B 57(14), 352 (1998)Google Scholar
  18. 18.
    Nishino, Y., Kato, M., Asano, S., Soda, K., Hayasaki, M., Mizutani, U.: Phys. Rev. Lett. 79, 1909 (1997)ADSCrossRefGoogle Scholar
  19. 19.
    Nishino, Y.: Mater. Sci. Eng., A 258, 50 (1998)CrossRefGoogle Scholar
  20. 20.
    Nishino, Y.: Intermetallic 8, 1233 (2000)CrossRefGoogle Scholar
  21. 21.
    Tran, F., Blaha, P.: Phys. Rev. Lett. 102(22640), 1 (2009)Google Scholar
  22. 22.
    Gupta, D.C., Bhat, I.H.: J. Magn. Magn. Mater. 374, 209 (2015)ADSCrossRefGoogle Scholar
  23. 23.
    Gupta, D.C., Bhat, I.H.: Mater. Chem. Phys. 146, 303 (2014)CrossRefGoogle Scholar
  24. 24.
    Monkhorst, H.J., Pack, J.D.: Phys. Rev. B 13, 5188 (1976)ADSMathSciNetCrossRefGoogle Scholar
  25. 25.
    Bhat, T.M., Gupta, D.C.: RSC. Adv. 6, 80302 (2016)CrossRefGoogle Scholar
  26. 26.
    Madsen, G.K.H.: J. Am. Chem. Soc. 128, 12140 (2006)CrossRefGoogle Scholar

Copyright information

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

Authors and Affiliations

  1. 1.Condensed Matter Theory Group, School of Studies in PhysicsJiwaji UniversityGwaliorIndia

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