Journal
CHEMICAL PHYSICS LETTERS
Volume 474, Issue 1-3, Pages 93-96Publisher
ELSEVIER
DOI: 10.1016/j.cplett.2009.04.033
Keywords
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Funding
- Chinese Academy of Sciences [2007CB925004, 863]
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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, super-incompressible 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. (C) 2009 Elsevier B. V. All rights reserved.
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