New potential super-incompressible phase of ReN
arXiv:0906.0915 · doi:10.1016/j.cplett.2009.04.033
Abstract
The structural, elastic, and electronic properties of ReN are investigated by first-principles calculations with density functional theory. The obtained orthorhombic structure is energetically the most stable structure at ambient pressure. ReN 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 SiN.
15 pages, 3 figures, 1 Table