A Structure and the Superconductivity of LiBC

Xudong Liu; Fuhao Xiong; Liangyu Xu; Dongmei Zhang

doi:doi:10.11648/j.cm.20230701.11

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A Structure and the Superconductivity of LiBC

Xudong Liu, Fuhao Xiong, Liangyu Xu, Dongmei Zhang

Published in Composite Materials (Volume 7, Issue 1)

Received: 16 March 2023 Accepted: 11 April 2023 Published: 24 April 2023

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Abstract

MgB2 has been found to be superconductor with a critical temperature of 39K by Akimitsu and coworkers in 2000. Then, extensive search has been made for searching similar superconductor among related intermetallic compounds. Lithium borocarbide (LiBC) is an analogue with similar structure to MgB2. In the structure of LiBC (P63/mmc), hexagonal sheets of B-C is in the place of B-B and Li is in the place of Mg contrast to MgB2. These result in the material being an insulator. LiBC is expected to be a new phonon-mediated Bardeen-Cooper-Schrieffer (BCS) superconductor. But to be this kind of superconductor, the material should be a conductor, so hole-doped method is used to make it a conductor. In the paper, a new stable structure of LiBC is discovered. Using structure prediction software CALYPSO and first principles calculation software, a new type structure of LiBC under ordinary pressure is discovered, and it has a crystal structure of . Quantum Espresso software is used to study the superconductivity of the structure, when the μ^*=0.10, election-phonon coupling parameter λ=0.4112, the critical temperature of superconductivity is 2.77 K, and the bands structure and the density of states of LiBC are obtained by the software. The structure and the superconductivity are also studied under some high pressure.

Published in	Composite Materials (Volume 7, Issue 1)
DOI	10.11648/j.cm.20230701.11
Page(s)	1-6
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

Superconductivity, Election-Phonon Coupling, Crystal Structure, Critical Temperature

References

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[4]	Michael Worle und Reinhard Nesper. (1995). LiBC - A Completely Intercalated Heterographite. Z. anorg. allg. Chem. 621, 1153-1159.
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[7]	Gao Miao, Kong Xin, Lu Zhong-Yi, Xiang Tao. (2015). First-principles study of electron-phonon coupling and superconductivity in compound Li2C2. doi: 10.7498/aps.64.214701.
[8]	Belash I T, Bronnikov A D, Zharikov O V, and Pal’nichenko A V. (1989). Superconductivity of Graphite Intercalation compound with Lithium C2Li. doi: 10.1016/0038-1098(89)90933-2.
[9]	Yinwei Li, Jian Hao, Hanyu Liu, Yanling Li, and Yanming Ma. (2014). The metallization and superconductivity of dense hydrogen sulfide. doi: 10.1063/1.4874158.
[10]	Jingkai Bi, Yuki Nakamoto, Peiyu Zhang, Katsuya Shimizu, Bo Zou, Hanyu Liu, et al. (2022). Giant enhancement of superconducting critical temperature in substitutional alloy (La, Ce) H9. Nat Commun 13, 5952 doi: 10.1038/s41467-022-33743-6.
[11]	A P Drozdov, P P Kong, V S Minkov, S P Besedin, M A Kuzovnikov, S Mozaffari et al. (2019). Superconductivity at 250 K in lanthanum hydride under high pressures. doi: 10.1038/s41586-019-1201-8.
[12]	Maddury Somayazulu, Muhtar Ahart, Ajay K Mishra, Zachary M. Geballe, Maria Baldini, Yue Meng, et al. (2019). Evidence for superconductivity above 260 K in lanthanum superhydride at megabar pressures. Physical Review Letters. doi: 10.1103/PhysRevLett.122.027001.
[13]	J. Kennedy, and R. C. Eberhart. (1997). A Discrete Binary Version of the Particle Swarm Algorithm. IEEE. doi: 10.1109/ICSMC.1997.637339.
[14]	Wang, Y. C., Lv, J., Zhu, L. & Ma, Y. M. (2012). CALYPSO: A method for crystal structure prediction. Comput. Phys. Commun. doi: 10.1016/j.cpc.2012.05.008.
[15]	Yanchao Wang, Jian Lv, Li Zhu and Yanming Ma. (2010). Crystal Structure Prediction via Particle Swarm Optimization, Phys Rev B. doi: 10.1103/PhysRevB.82.094116.
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[17]	Cheng Kai -jia. (1991). Study on Mechanism of Superconductivity. Beijing: New Times Press.
[18]	A. M. Fogg, P. R. Chalker, J. B. Claridge, G. R. Darling, and M. J. Rosseinsky (2003). LiBC electronic, vibrational, structural, and low-temperature chemical behavior of a layered material isoelectronic with MgB2. Phys. Rev. B. doi: 10.1103/PhysRevB.67.245106.

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APA Style

Xudong Liu, Fuhao Xiong, Liangyu Xu, Dongmei Zhang. (2023). A Structure and the Superconductivity of LiBC. Composite Materials, 7(1), 1-6. https://doi.org/10.11648/j.cm.20230701.11

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ACS Style

Xudong Liu; Fuhao Xiong; Liangyu Xu; Dongmei Zhang. A Structure and the Superconductivity of LiBC. Compos. Mater. 2023, 7(1), 1-6. doi: 10.11648/j.cm.20230701.11

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AMA Style

Xudong Liu, Fuhao Xiong, Liangyu Xu, Dongmei Zhang. A Structure and the Superconductivity of LiBC. Compos Mater. 2023;7(1):1-6. doi: 10.11648/j.cm.20230701.11

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@article{10.11648/j.cm.20230701.11,
  author = {Xudong Liu and Fuhao Xiong and Liangyu Xu and Dongmei Zhang},
  title = {A Structure and the Superconductivity of LiBC},
  journal = {Composite Materials},
  volume = {7},
  number = {1},
  pages = {1-6},
  doi = {10.11648/j.cm.20230701.11},
  url = {https://doi.org/10.11648/j.cm.20230701.11},
  eprint = {https://article.sciencepublishinggroup.com/pdf/10.11648.j.cm.20230701.11},
  abstract = {MgB2 has been found to be superconductor with a critical temperature of 39K by Akimitsu and coworkers in 2000. Then, extensive search has been made for searching similar superconductor among related intermetallic compounds. Lithium borocarbide (LiBC) is an analogue with similar structure to MgB2. In the structure of LiBC (P63/mmc), hexagonal sheets of B-C is in the place of B-B and Li is in the place of Mg contrast to MgB2. These result in the material being an insulator. LiBC is expected to be a new phonon-mediated Bardeen-Cooper-Schrieffer (BCS) superconductor. But to be this kind of superconductor, the material should be a conductor, so hole-doped method is used to make it a conductor. In the paper, a new stable structure of LiBC is discovered. Using structure prediction software CALYPSO and first principles calculation software, a new type structure of LiBC under ordinary pressure is discovered, and it has a crystal structure of . Quantum Espresso software is used to study the superconductivity of the structure, when the μ*=0.10, election-phonon coupling parameter λ=0.4112, the critical temperature of superconductivity is 2.77 K, and the bands structure and the density of states of LiBC are obtained by the software. The structure and the superconductivity are also studied under some high pressure.},
 year = {2023}
}

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TY  - JOUR
T1  - A Structure and the Superconductivity of LiBC
AU  - Xudong Liu
AU  - Fuhao Xiong
AU  - Liangyu Xu
AU  - Dongmei Zhang
Y1  - 2023/04/24
PY  - 2023
N1  - https://doi.org/10.11648/j.cm.20230701.11
DO  - 10.11648/j.cm.20230701.11
T2  - Composite Materials
JF  - Composite Materials
JO  - Composite Materials
SP  - 1
EP  - 6
PB  - Science Publishing Group
SN  - 2994-7103
UR  - https://doi.org/10.11648/j.cm.20230701.11
AB  - MgB2 has been found to be superconductor with a critical temperature of 39K by Akimitsu and coworkers in 2000. Then, extensive search has been made for searching similar superconductor among related intermetallic compounds. Lithium borocarbide (LiBC) is an analogue with similar structure to MgB2. In the structure of LiBC (P63/mmc), hexagonal sheets of B-C is in the place of B-B and Li is in the place of Mg contrast to MgB2. These result in the material being an insulator. LiBC is expected to be a new phonon-mediated Bardeen-Cooper-Schrieffer (BCS) superconductor. But to be this kind of superconductor, the material should be a conductor, so hole-doped method is used to make it a conductor. In the paper, a new stable structure of LiBC is discovered. Using structure prediction software CALYPSO and first principles calculation software, a new type structure of LiBC under ordinary pressure is discovered, and it has a crystal structure of . Quantum Espresso software is used to study the superconductivity of the structure, when the μ*=0.10, election-phonon coupling parameter λ=0.4112, the critical temperature of superconductivity is 2.77 K, and the bands structure and the density of states of LiBC are obtained by the software. The structure and the superconductivity are also studied under some high pressure.
VL  - 7
IS  - 1
ER  -

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Author Information

Xudong Liu

College of Science, North China University of Science and Technology, Tangshan, China
Fuhao Xiong

College of Science, North China University of Science and Technology, Tangshan, China
Liangyu Xu

College of Science, North China University of Science and Technology, Tangshan, China
Dongmei Zhang

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

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Plain Text BibTeX RIS

APA Style

Xudong Liu, Fuhao Xiong, Liangyu Xu, Dongmei Zhang. (2023). A Structure and the Superconductivity of LiBC. Composite Materials, 7(1), 1-6. https://doi.org/10.11648/j.cm.20230701.11

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ACS Style

Xudong Liu; Fuhao Xiong; Liangyu Xu; Dongmei Zhang. A Structure and the Superconductivity of LiBC. Compos. Mater. 2023, 7(1), 1-6. doi: 10.11648/j.cm.20230701.11

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AMA Style

Xudong Liu, Fuhao Xiong, Liangyu Xu, Dongmei Zhang. A Structure and the Superconductivity of LiBC. Compos Mater. 2023;7(1):1-6. doi: 10.11648/j.cm.20230701.11

Copy | Download

@article{10.11648/j.cm.20230701.11,
  author = {Xudong Liu and Fuhao Xiong and Liangyu Xu and Dongmei Zhang},
  title = {A Structure and the Superconductivity of LiBC},
  journal = {Composite Materials},
  volume = {7},
  number = {1},
  pages = {1-6},
  doi = {10.11648/j.cm.20230701.11},
  url = {https://doi.org/10.11648/j.cm.20230701.11},
  eprint = {https://article.sciencepublishinggroup.com/pdf/10.11648.j.cm.20230701.11},
  abstract = {MgB2 has been found to be superconductor with a critical temperature of 39K by Akimitsu and coworkers in 2000. Then, extensive search has been made for searching similar superconductor among related intermetallic compounds. Lithium borocarbide (LiBC) is an analogue with similar structure to MgB2. In the structure of LiBC (P63/mmc), hexagonal sheets of B-C is in the place of B-B and Li is in the place of Mg contrast to MgB2. These result in the material being an insulator. LiBC is expected to be a new phonon-mediated Bardeen-Cooper-Schrieffer (BCS) superconductor. But to be this kind of superconductor, the material should be a conductor, so hole-doped method is used to make it a conductor. In the paper, a new stable structure of LiBC is discovered. Using structure prediction software CALYPSO and first principles calculation software, a new type structure of LiBC under ordinary pressure is discovered, and it has a crystal structure of . Quantum Espresso software is used to study the superconductivity of the structure, when the μ*=0.10, election-phonon coupling parameter λ=0.4112, the critical temperature of superconductivity is 2.77 K, and the bands structure and the density of states of LiBC are obtained by the software. The structure and the superconductivity are also studied under some high pressure.},
 year = {2023}
}

Copy | Download

TY  - JOUR
T1  - A Structure and the Superconductivity of LiBC
AU  - Xudong Liu
AU  - Fuhao Xiong
AU  - Liangyu Xu
AU  - Dongmei Zhang
Y1  - 2023/04/24
PY  - 2023
N1  - https://doi.org/10.11648/j.cm.20230701.11
DO  - 10.11648/j.cm.20230701.11
T2  - Composite Materials
JF  - Composite Materials
JO  - Composite Materials
SP  - 1
EP  - 6
PB  - Science Publishing Group
SN  - 2994-7103
UR  - https://doi.org/10.11648/j.cm.20230701.11
AB  - MgB2 has been found to be superconductor with a critical temperature of 39K by Akimitsu and coworkers in 2000. Then, extensive search has been made for searching similar superconductor among related intermetallic compounds. Lithium borocarbide (LiBC) is an analogue with similar structure to MgB2. In the structure of LiBC (P63/mmc), hexagonal sheets of B-C is in the place of B-B and Li is in the place of Mg contrast to MgB2. These result in the material being an insulator. LiBC is expected to be a new phonon-mediated Bardeen-Cooper-Schrieffer (BCS) superconductor. But to be this kind of superconductor, the material should be a conductor, so hole-doped method is used to make it a conductor. In the paper, a new stable structure of LiBC is discovered. Using structure prediction software CALYPSO and first principles calculation software, a new type structure of LiBC under ordinary pressure is discovered, and it has a crystal structure of . Quantum Espresso software is used to study the superconductivity of the structure, when the μ*=0.10, election-phonon coupling parameter λ=0.4112, the critical temperature of superconductivity is 2.77 K, and the bands structure and the density of states of LiBC are obtained by the software. The structure and the superconductivity are also studied under some high pressure.
VL  - 7
IS  - 1
ER  -

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