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Effect of chromium on the electronic structure of the cementite Fe3C

  • Metals and Superconductors
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Abstract

The effect of alloying of the cementite Fe3C with chromium on the band structure, atomic interactions, electric field gradients, and asymmetry parameters for iron nuclei is investigated using the self-consistent full-potential linear muffin-tin orbital (FPLMTO) method. An increase in the cohesive energy for the Fe3C-Cr system indicates an enhancement of the atomic interactions in the lattice of the cementite alloyed with chromium. It is found that the substitution of chromium for iron in the FeII positions containing eight equivalent iron atoms is energetically most favorable.

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References

  1. M. B. Belous, V. T. Cherepnin, and M. A. Vasil’ev, Transformations in the Course of Tempering of Steels (Metallurgiya, Moscow, 1973) [in Russian].

    Google Scholar 

  2. É. Gudremon, Special Steels (Metallurgiya, Moscow, 1968), Vol. 1 [in Russian].

    Google Scholar 

  3. A. Inoue, T. Ogura, and T. Masumoto, Nippon Kinzoku Gakkai Kaiho 13, 473 (1974).

    Google Scholar 

  4. M. Umemoto, Z. G. Liu, K. Masuyama, and K. Tsuchiya, Scr. Mater. 45 (4), 391 (2001).

    Article  Google Scholar 

  5. J. Haglund, G. Grimvall, and T. Jarlborg, Phys. Rev. B: Condens. Matter 44 (7), 2914 (1991).

    ADS  Google Scholar 

  6. A. G. Vakhneĭ, V. N. Antonov, A. N. Yares’ko, V. V. Nemoshkalenko, and V. G. Gavrilyuk, Metallofiz. Noveĭshie Tekhnol. 18 (12), 21 (1996).

    Google Scholar 

  7. L. Vocadlo, J. Brodholt, D. P. Dobson, K. S. Knight, W. G. Marshall, G. D. Price, and I. G. Wood, Earth Planet. Sci. Lett. 203 (1), 567 (2002).

    Article  ADS  Google Scholar 

  8. N. I. Medvedeva, L. E. Kar’kina, and A. L. Ivanovskiĭ, Fiz. Met. Metalloved. 96 (5), 16 (2003).

    Google Scholar 

  9. C. W. Chiou, Jr. and E. A. Carter, Surf. Sci. 530 (1-2), 87 (2003).

    Article  Google Scholar 

  10. M. Mizuno, I. Tanako, and H. Adachi, Philos. Mag. B 75 (2), 237 (1997).

    Google Scholar 

  11. E. J. Fasiska and G. A. Jeffrey, Acta Crystallogr. 19, 463 (1965).

    Article  Google Scholar 

  12. V. G. Gavrilyuk, Distribution of Carbon in Steels (Naukova Dumka, Kiev, 1987) [in Russian].

    Google Scholar 

  13. M. Methfessel and M. Scheffler, Physica B (Amsterdam) 172, 175 (1991).

    ADS  Google Scholar 

  14. J. P. Perdew, S. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77 (18), 3865 (1996).

    Article  ADS  Google Scholar 

  15. I. N. Shabanova and V. A. Trapeznikov, Pis’ma Zh. Éksp. Teor. Fiz. 18, 576 (1973) [JETP Lett. 18, 339 (1973)].

    Google Scholar 

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Authors and Affiliations

  1. Institute of Solid-State Chemistry, Ural Division, Russian Academy of Sciences, Pervomaĭskaya ul. 91, Yekaterinburg, 620219, Russia

    N. I. Medvedeva & A. L. Ivanovskiĭ

  2. Institute of Metal Physics, Ural Division, Russian Academy of Sciences, ul. S. Kovalevskoĭ 18, Yekaterinburg, 620219, Russia

    L. E. Kar’kina

Authors
  1. N. I. Medvedeva
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  2. L. E. Kar’kina
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  3. A. L. Ivanovskiĭ
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Medvedeva, N.I., Kar’kina, L.E. & Ivanovskiĭ, A.L. Effect of chromium on the electronic structure of the cementite Fe3C. Phys. Solid State 48, 15–19 (2006). https://doi.org/10.1134/S1063783406010045

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  • DOI: https://doi.org/10.1134/S1063783406010045

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