First-principles calculations to investigate the anisotropic elasticity and thermodynamic properties of FeAl3 under pressure effect
We have employed the first-principles calculations and quasi-harmonic Debye model to investigate the effect of the pressure on anisotropic elasticity and thermodynamic properties of FeAl3. According to Christoffel’s equation, the wave velocity anisotropy of FeAl3 as a function of pressure was also s...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2021-07-01
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| Series: | Results in Physics |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2211379721004861 |