First-principles study of the structural, phonon, elastic, and thermodynamic properties of Al_3Ta compound under high pressure
We have investigated the phonon, elastic and thermodynamic properties of L1_2 phase Al_3Ta by density functional theory approach combining with quasi-harmonic approximation model. The results of phonon band structure shows that L1_2 phase Al_3Ta possesses dynamical stability in the pressure range fr...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Institute for Condensed Matter Physics
2018-03-01
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| Series: | Condensed Matter Physics |
| Subjects: | |
| Online Access: | https://doi.org/10.5488/CMP.21.13601 |