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

Lei Feng; Fei Wang; Wufeng Jiang; Chen Chen; Yuzhu Zhang; Jingbo Ren; Zhenguo Wang

doi:doi:10.11648/j.am.20170602.11

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

Lei Feng, Fei Wang, Wufeng Jiang, Chen Chen, Yuzhu Zhang, Jingbo Ren, Zhenguo Wang

Published in Advances in Materials (Volume 6, Issue 2)

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), 2024. Published by Science Publishing Group

Keywords

Structure, Pure Iron, Band Structure, CALYPSO, Phase

References

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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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TY  - JOUR
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
SP  - 7
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

Lei Feng

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
Fei Wang

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

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

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

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

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

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

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Plain Text BibTeX RIS

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

Copy | Download

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

Copy | Download

@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}
}

Copy | Download

TY  - JOUR
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
SP  - 7
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  -

Copy | Download