Abstract
The equation of states, mechanical properties and electronic structures of the recently synthesized rhenium nitrides (Re3N and Re2N) and the pure metal Re have been investigated by the density functional theory calculations considering the effect of spin-orbit coupling. Our results not only indicate Re3N and Re3N to be ultrastiff and hard materials but also reveal that they exhibit mechanical stability and metallic character. Furthermore, the mechanical behaviors for Re, Re3N, and Re3N can be qualitatively clarified from their crystal and electronic structures. The metallic, ultrastiff, and hard Re3N and Re2N may find their promising applications as cutting tools and hard conductors at the extreme conditions.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
