Abstract
By using unbiased crystal structure searching technique combined with first-principles calculations, a new superdense carbon phase C10 (space group: C222) with a density of 3.55g/cm3 (larger than that of diamond (3.50g/cm3)) is uncovered. The C10 phase has a 10-atom unit cell in the full sp3 bonding network. A systematic theoretical study of the electronic, dynamic, optical, and elastic properties of superdense carbon C10 was carried out. In addition, we studied the homologous fracture mode by calculating the ideal tensile and shear strength of C10 phase. It was confirmed that C10 is a superhard insulator material with HSE06 band gap of 4.60 eV.
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.
