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o-C8 Carbon: A New Allotrope of Superhard Carbon
Gan Li-Hua
Author NameAffiliationE-mail
Gan Li-Hua Southwest University ganlh@swu.edu.cn 
Abstract:
An orthonormal crystal of carbon with PMMA space group (o-C8) was found to be a stable superhard allotrope of carbon by particle swarm optimization algorithm and density functional calculations. The phonon spectra calculations demonstrate that the o-C8 carbon phase is dynamically stable. The volume compression calculations show that it is highly incompressible with bulk modulus of 298.5GPa. The calculations demonstrate that it is a low-density superhard material with density of 2.975 g/cm3 and Vickers hardness of 66.9GPa.
Key words:  Carbon, Hardness, Stability, Structures
FundProject:
o-C8 Carbon: A New Allotrope of Superhard Carbon
甘利华
摘要:
An orthonormal crystal of carbon with PMMA space group (o-C8) was found to be a stable superhard allotrope of carbon by particle swarm optimization algorithm and density functional calculations. The phonon spectra calculations demonstrate that the o-C8 carbon phase is dynamically stable. The volume compression calculations show that it is highly incompressible with bulk modulus of 298.5GPa. The calculations demonstrate that it is a low-density superhard material with density of 2.975 g/cm3 and Vickers hardness of 66.9GPa.
关键词:  Carbon, Hardness, Stability, Structures
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