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Theoretical Investigation on the Elastic Properties, Bond Stiffness and Hardness of WX2 (X = B and N)

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Abstract

In this paper, we investigate the elastic properties, bond stiffness, hardness and Debye temperatures for hexagonal P63/mmc WX2 (X = B or N). It is observed that these two compounds are stable in mechanics. Both these two have three typical bonds, W-X bonds, X-X and W-W bonds. By investigating the bond stiffness of these three types of bonds, we found that the bulk modulus of WX2 is mainly determined by W-X and W-W bonds, while the shear modulus is mainly determined by X-X bonds. In addition, using a theoretical model, we evaluate the hardness of these two compounds. Results showed that the Vickers hardness of WN2 is much lower than that of WB2. What’s more, by calculating the Debye temperatures, we found the melting point of WN2 is much lower than WB2, and the overall chemical bonds in WB2 are stronger than that of WN2.

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Funding

Supported by the Key Research of Department Education of Henan Province (No. 17A140030), the cultivation project of young backbone teachers of Henan Province (2019GGJS137) and the Doctoral Fund of Zhengzhou University of Light Industry (2016XGGJS003).

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Author notes

  1. Junyu Li and Jianling Zhao contributed equally to this work.

Authors and Affiliations

  1. College of Physics and Electronic Engineering, Zhengzhou University of Light Industry, Zhengzhou, 450002, China

    Junyu Li, Peng Chen & Shiquan Feng

  2. Division of Radiation Physics, State Key Laboratory of Biotherapy and Cancer Center, West China Hospital, Sichuan University, Chengdu, 610041, China

    Jianling Zhao

  3. Department of Physics and Electronic Engineering, Sichuan University of Science & Engineering, Zigong, 643000, China

    Cuiming Tang

Authors
  1. Junyu Li
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  2. Jianling Zhao
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  3. Cuiming Tang
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  4. Peng Chen
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Corresponding authors

Correspondence to Cuiming Tang or Shiquan Feng.

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The text was submitted by the authors in English.

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Li, J., Zhao, J., Tang, C. et al. Theoretical Investigation on the Elastic Properties, Bond Stiffness and Hardness of WX2 (X = B and N). J. Superhard Mater. 41, 434–440 (2019). https://doi.org/10.3103/S1063457619060078

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  • DOI: https://doi.org/10.3103/S1063457619060078

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