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Chinese Journal of High Pressure Physics  > 2019  >  33(4): 042401.
LEI Huiru, ZHANG Lihong. Elastic Properties of ReN2 under High Pressure[J]. Chinese Journal of High Pressure Physics, 2019, 33(4): 042401. doi: 10.11858/gywlxb.20180647
Citation: LEI Huiru, ZHANG Lihong. Elastic Properties of ReN2 under High Pressure[J]. Chinese Journal of High Pressure Physics, 2019, 33(4): 042401. doi: 10.11858/gywlxb.20180647
shu

Elastic Properties of ReN2 under High Pressure

doi: 10.11858/gywlxb.20180647

  • Department of Basic, Shanxi Institute of Technology, Yangquan 045000, China

  • Received Date: 08 Oct 2018
  • Rev Recd Date: 16 Nov 2018
    Abstract
  • Super hard materials have wide applications in industry, such as cutting tools, abrasive materials, wear resistant coatings. As one of the 5d transition metals double nitrogen compound, ReN2 contains both covalent bond, ionic bond and metallic bonding. In view of its many excellent physical properties, such as high hardness, high melting point and corrosion resistance, ReN2 earns much research interests. This article has calculated the structural properties of C2/m-ReN2 under zero temperature and zero pressure using the plane wave pseudo-potential method of density functional theory, and has studied the mechanical structure stability and elastic properties of C2/m-ReN2 under high pressure for the first time. The relations of the elastic constants, various modulus of elasticity, Debye temperature and the sound speed of C2/m-ReN2 with the pressure have obtained. In addition to the individual elastic constants, these quantities increase with the increase in pressure. In addition, we have also predicted the toughness and brittleness of C2/m-ReN2, and have estimated the Vickers hardness of C2/m-ReN2.

     

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