English

New potential super-incompressible phase of ReN$_{2}$

Materials Science 2009-06-05 v1

Abstract

The structural, elastic, and electronic properties of ReN2_{2} are investigated by first-principles calculations with density functional theory. The obtained orthorhombic PbcnPbcn structure is energetically the most stable structure at ambient pressure. ReN2_{2} 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 Si3_{3}N4_{4}.

Keywords

Cite

@article{arxiv.0906.0915,
  title  = {New potential super-incompressible phase of ReN$_{2}$},
  author = {Yan-Ling Li and Zhi Zeng},
  journal= {arXiv preprint arXiv:0906.0915},
  year   = {2009}
}

Comments

15 pages, 3 figures, 1 Table