New potential super - incompressible phase of ReN 2

نویسندگان

  • Yanling Li
  • Zhi Zeng
چکیده

The structural, elastic, and electronic properties of ReN2 are investigated by first-principles calculations with density functional theory. The obtained orthorhombic Pbcn structure is energetically the most stable structure at ambient pressure. ReN2 is a metallic, superincompressible solid and presents a rather elastic anisotropy. The estimated Debye temperature and hardness are 735 K and 17.1 GPa, respectively. Its estimated hardness is comparative to that of Si3N4. PACS numbers: 61.50.Ks, 62.20.-x, 71.15.Mb, 71.20.-b, 71.20.Be

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تاریخ انتشار 2009