Abstract
A first-principles plane-wave pseudopotential method based on the density functional theory is used to investigate the structural, elastic and electronic properties of M 4N 5 and M 5N 6 (M = a transition metal (TM) Nb, Ta). C 33 elastic constant for all compounds is found to be much larger than C 11, indicating that a-axis is more compressible than c-axis. Interestingly, we find that C 33 and C 11 are significantly larger than other elastic constants, resulting in a pronounced elastic anisotropy.
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.
