A novel high-pressure polymorph of TaSi2
We report a novel high-pressure cubic cF24 phase of TaSi2 which is stable above 185 GPa through first-principles swarm intelligence structure search method. Results on enthalpy difference show that the structural transition of TaSi2 from the ambient hexagonal C40 phase to cF24 phase is first order w...
| Main Authors: | , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2020-09-01
|
| Series: | Results in Physics |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2211379720317770 |