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The Study on the Structure of Pure Iron Under A High Pressure of 100GPa

Received: 8 March 2017     Accepted: 16 March 2017     Published: 2 April 2017
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Abstract

Using a new crystal structure prediction software CALYPSO (Crystal Structure Analysis by Particle Swarm Optimization), a new phase F222 of pure iron was obtained in a high pressure of 100GPa, which is different to δ-Fe, γ-Fe, α-Fe, the structure is a orthogonal structure, with this structure, the element Fe has the lattice parameters a=1.8459, b=10.6604, c=3.7637, α=β=γ=90°. The electric structures of the element Fe with F222 structure have also been studied, and the results of density of states revealed that the element Fe is a non-magnet.

Published in Advances in Materials (Volume 6, Issue 2)
DOI 10.11648/j.am.20170602.11
Page(s) 7-10
Creative Commons

This is an Open Access article, distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution and reproduction in any medium or format, provided the original work is properly cited.

Copyright

Copyright © The Author(s), 2017. Published by Science Publishing Group

Keywords

Structure, Pure Iron, Band Structure, CALYPSO, Phase

References
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Cite This Article
  • APA Style

    Lei Feng, Fei Wang, Wufeng Jiang, Chen Chen, Yuzhu Zhang, et al. (2017). The Study on the Structure of Pure Iron Under A High Pressure of 100GPa. Advances in Materials, 6(2), 7-10. https://doi.org/10.11648/j.am.20170602.11

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    ACS Style

    Lei Feng; Fei Wang; Wufeng Jiang; Chen Chen; Yuzhu Zhang, et al. The Study on the Structure of Pure Iron Under A High Pressure of 100GPa. Adv. Mater. 2017, 6(2), 7-10. doi: 10.11648/j.am.20170602.11

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    AMA Style

    Lei Feng, Fei Wang, Wufeng Jiang, Chen Chen, Yuzhu Zhang, et al. The Study on the Structure of Pure Iron Under A High Pressure of 100GPa. Adv Mater. 2017;6(2):7-10. doi: 10.11648/j.am.20170602.11

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  • @article{10.11648/j.am.20170602.11,
      author = {Lei Feng and Fei Wang and Wufeng Jiang and Chen Chen and Yuzhu Zhang and Jingbo Ren and Zhenguo Wang},
      title = {The Study on the Structure of Pure Iron Under A High Pressure of 100GPa},
      journal = {Advances in Materials},
      volume = {6},
      number = {2},
      pages = {7-10},
      doi = {10.11648/j.am.20170602.11},
      url = {https://doi.org/10.11648/j.am.20170602.11},
      eprint = {https://article.sciencepublishinggroup.com/pdf/10.11648.j.am.20170602.11},
      abstract = {Using a new crystal structure prediction software CALYPSO (Crystal Structure Analysis by Particle Swarm Optimization), a new phase F222 of pure iron was obtained in a high pressure of 100GPa, which is different to δ-Fe, γ-Fe, α-Fe, the structure is a orthogonal structure, with this structure, the element Fe has the lattice parameters a=1.8459, b=10.6604, c=3.7637, α=β=γ=90°. The electric structures of the element Fe with F222 structure have also been studied, and the results of density of states revealed that the element Fe is a non-magnet.},
     year = {2017}
    }
    

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    T1  - The Study on the Structure of Pure Iron Under A High Pressure of 100GPa
    AU  - Lei Feng
    AU  - Fei Wang
    AU  - Wufeng Jiang
    AU  - Chen Chen
    AU  - Yuzhu Zhang
    AU  - Jingbo Ren
    AU  - Zhenguo Wang
    Y1  - 2017/04/02
    PY  - 2017
    N1  - https://doi.org/10.11648/j.am.20170602.11
    DO  - 10.11648/j.am.20170602.11
    T2  - Advances in Materials
    JF  - Advances in Materials
    JO  - Advances in Materials
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    EP  - 10
    PB  - Science Publishing Group
    SN  - 2327-252X
    UR  - https://doi.org/10.11648/j.am.20170602.11
    AB  - Using a new crystal structure prediction software CALYPSO (Crystal Structure Analysis by Particle Swarm Optimization), a new phase F222 of pure iron was obtained in a high pressure of 100GPa, which is different to δ-Fe, γ-Fe, α-Fe, the structure is a orthogonal structure, with this structure, the element Fe has the lattice parameters a=1.8459, b=10.6604, c=3.7637, α=β=γ=90°. The electric structures of the element Fe with F222 structure have also been studied, and the results of density of states revealed that the element Fe is a non-magnet.
    VL  - 6
    IS  - 2
    ER  - 

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Author Information
  • North China University of Science and Technology Metallurgy and Energy College, Tangshan, China

  • Institute of Power Source & Ecomaterials Science, Hebei University of Technology, Tianjin, China

  • North China University of Science and Technology Qian'an College, Tangshan, China

  • North China University of Science and Technology Metallurgy and Energy College, Tangshan, China

  • North China University of Science and Technology Qian'an College, Tangshan, China

  • North China University of Science and Technology Metallurgy and Energy College, Tangshan, China

  • North China University of Science and Technology Metallurgy and Energy College, Tangshan, China

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