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Substitution- and strain-induced magnetic phase transition in iron carbide

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Abstract

Cementite-type carbides are of interest for magnetocaloric applications owing to their temperature- or pressure-induced magnetic phase transition. Here, using first-principles calculations, we investigate the magnetism and the magnetic phase transition in iron carbide (Fe3C) with the substitution of Cr atoms at Fe sites with the strain effect. The presence of Cr atoms is found to give rise to a second-order magnetic phase transition from a ferromagnetic phase for Fe3C to a nonmagnetic phase in chromium carbide (Cr3C).While the ternary Fe2CrC and Cr2FeC compounds prefer the ferrimagnetic ground state, the magnitudes of both the Fe and Cr spin moments, which are antiparallel in orientation, decrease as x increases in Fe3-xCrxC (x = 0, 1, 2, and 3). Furthermore, the fixed spin-moment calculations indicate that the magnetization of Fe3-xCrxC compounds can be delicately altered via the strain effect and that the magnetic-nonmagnetic phase transition occurs at an early stage of Cr substitution, x = 2.

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References

  1. N. A. Spaldin, Magnetic materials: fundamentals and applications, 2nd ed. (Cambridge University Press, Cambridge, 2010).

    Book  Google Scholar 

  2. W. F. Smith, W. White and S. G. Barker, Proc. Phys. Soc. London 24, 62 (1911).

    Article  Google Scholar 

  3. E. Duman, M. Acet, E. F. Wassermann, J. P. Itie, F. Baudelet, O. Mathon and S. Pascarelli, Phys. Rev. Lett. 94, 075502 (2005).

    Article  ADS  Google Scholar 

  4. M. Umemoto, Y. Todaka and K. Tsuchiya, Mater. Sci. Forum 426-432, 859 (2003).

    Article  Google Scholar 

  5. W. F. Smith and J. Hashemi, Foundation of Materials Science and Engineering (Higher Education, New York, 2006), p. 363.

    Google Scholar 

  6. I. R. Shein, N. I. Medvedeva and A. L. Ivanovskii, Physica B 371, 126 (2006).

    Article  ADS  Google Scholar 

  7. C. X. Wang, Z. Q. Lv, W. T. Fu, Y. Li, S. H. Sun and B. Wang, Solid State Sci. 13, 1658 (2011).

    Article  ADS  Google Scholar 

  8. Z. Q. Lv, W. T. Fu, S. H. Sun, X. H. Bai, Y. Gao, Z. H. Wang and P. Jiang, J. Magn. Magn. Mater. 323, 915 (2011).

    Article  ADS  Google Scholar 

  9. W. H. Zhang, Z. Q. Lv, Z. P. Shi, S. H. Sun, Z. H. Wang and W. T. Fu, J. Magn. Magn. Mater. 324, 2271 (2012).

    Article  ADS  Google Scholar 

  10. H. Wada and Y. Tanade, Appl. Phys. Lett. 79, 3302 (2001).

    Article  ADS  Google Scholar 

  11. O. Tegus, E. Bruck, K. H. J. Buschow and F. R. de Boer, Nature 415, 150 (2002).

    Article  ADS  Google Scholar 

  12. F. Zhao, O. Tegus, B. Fuquan and E. Bruck, Int. J. Miner. Metall. Mater. 16, 314 (2009).

    Article  Google Scholar 

  13. A. R. Williams, V. L. Moruzzi, J. Kubler and K. Schwarz, Bull. Am. Phys. Soc. 29, 278 (1984).

    Google Scholar 

  14. K. Schwarz and P. Mohn, J. Phys. F 14, L129 (1984).

    Article  ADS  Google Scholar 

  15. V. L. Morruzi, P. W. Marcus, K. Schwarz and P. Mohn, Phys. Rev. B 34, 1784 (1986).

    Article  ADS  Google Scholar 

  16. J. Deniszczyk, A. Wozniakowski, R. Kolando and A. Kolano-Burian, Acta Phys. Polon. A 121, 1162 (2012).

    Article  Google Scholar 

  17. H. Dederichs, S. Blugel, R. Zeller and H. Akai, Phys. Rev. Lett. 53, 2512 (1984).

    Article  ADS  Google Scholar 

  18. P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964).

    Article  ADS  MathSciNet  Google Scholar 

  19. W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965).

    Article  ADS  MathSciNet  Google Scholar 

  20. E. J. Fasiska and G. A. Jeffreay, Acta Cryst. 19, 463 (1965).

    Article  Google Scholar 

  21. I. G. Wood, L. Vocadlo, K. S. Knight, D. P. Dobson, W. G. Marshall, G. D. Price and J. Brodholt, J. Appl. Cryst. 37, 82 (2004).

    Article  Google Scholar 

  22. N. I. Medvedeva, I. R. Shein, M. A. Konyaeva and A. L. Ivanovskii, Phys. Met. Metallogr. 105, 568 (2008).

    Article  ADS  Google Scholar 

  23. J. P. Perdew, K. Burke and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996).

    Article  ADS  Google Scholar 

  24. P. Gianmozzi et al., J. Phys.: Condens. Matter 21, 395502 (2009).

    Google Scholar 

  25. R. M. Vanderbilt, Phys. Rev. B 41, 7892 (1990).

    Article  ADS  Google Scholar 

  26. H. J. Monkhorst and J. D. Pack, Phys. Rev. B 13, 5188 (1976).

    Article  ADS  MathSciNet  Google Scholar 

  27. P. E. Blochl, O. Jepsen and O. K. Andersen, Phys. Rev. B 49, 16223 (1994).

    Article  ADS  Google Scholar 

  28. A. Inoue and T. Tasumoto, Scr. Mater. 13, 711 (1979).

    Google Scholar 

  29. M. A. Konyaeva and N. I. Medvedeva, Phys. Solid State 51, 2084 (2009).

    Article  ADS  Google Scholar 

  30. Martin T Dove, Structure and Dynamics: An Atomic View of Materials, (Oxford University Press, New York, 2002), p. 258.

    Google Scholar 

  31. D. Odkhuu, W. S. Yun, S. H. Rhim and S. C. Hong, Appl. Phys. Lett. 98, 152502 (2011).

    Article  ADS  Google Scholar 

  32. D. Odkhuu, S. H. Rhim, N. Park, K. Nakamura and S. C. Hong, Phys. Rev. B 91, 014437 (2015).

    Article  ADS  Google Scholar 

  33. O. Tegus, B. Li–Hong and S. Lin, Chin. Phys. B 22, 037506 (2013).

    Article  ADS  Google Scholar 

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Authors and Affiliations

  1. Department of Physics, Incheon National University, Incheon, 22012, Korea

    Dorj Odkhuu

  2. Department of Physics, National University of Mongolia, Ulaanbaatar, 14201, Mongolia

    N. Tsogbadrakh, A. Dulmaa & N. Otgonzul

  3. Department of Physics, Mongolian University of Science and Technology, Ulaanbaatar, 14191, Mongolia

    D. Naranchimeg

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  1. Dorj Odkhuu
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  2. N. Tsogbadrakh
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  3. A. Dulmaa
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  4. N. Otgonzul
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  5. D. Naranchimeg
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Correspondence to N. Tsogbadrakh.

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Odkhuu, D., Tsogbadrakh, N., Dulmaa, A. et al. Substitution- and strain-induced magnetic phase transition in iron carbide. Journal of the Korean Physical Society 69, 1335–1340 (2016). https://doi.org/10.3938/jkps.69.1335

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  • DOI: https://doi.org/10.3938/jkps.69.1335

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