A novel superhard phase of TiB3 predicted by first-principles calculation
A novel superhard structure of TiB3 is predicted and its phase transitions, mechanical properties and electronic structure up to 200 GPa are studied employing first-principles calculation. We propose a new structure by substituting the highly stable Amm2 structure with excellent mechanical propertie...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2024-06-01
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| Series: | Results in Physics |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2211379724004625 |