Designing a sp3 structure of carbon T-C9: First-principles calculations
A novel superhard carbon allotrope T-C9 with an all-sp3 bonding network is theoretically predicted in this work. The new phase of the carbon allotrope has tetragonal symmetry with space group P-4m2, and the structural properties, stability, mechanical anisotropy, mechanical and electronic properties...
| Main Authors: | , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2020-12-01
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| Series: | Results in Physics |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2211379720321094 |