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First-principles study of the structural, phonon, elastic, and thermodynamic properties of Al3Ta compound under high pressure
We have investigated the phonon, elastic and thermodynamic properties of L1₂ phase Al₃Ta by density functional theory approach combining with quasi-harmonic approximation model. The results of phonon band structure shows that L1₂ phase Al₃Ta possesses dynamical stability in the pressure range from 0...
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| Main Authors: | , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Інститут фізики конденсованих систем НАН України
2018
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| Series: | Condensed Matter Physics |
| Online Access: | http://dspace.nbuv.gov.ua/handle/123456789/157048 |
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