Abstract
The values of unit-cell parameters; C-C bond lengths; elastic constants c ij and s ij ; elastic moduli B, G, and E; and hardnesses and cohesion energies have been calculated for hexagonal diamond polytypes 2H, 4H, 6H, and 8H within the approximation of density functional theory. The anisotropy of elastic moduli and hardness is investigated. It is found that the linear compressibility and hardness of polytypes in the basal plane exceeds that along the hexagonal c axis. It is shown that the difference in the anisotropic properties along and perpendicular to the hexagonal axis may be related to the specific features of polytype structure.
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.
