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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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Veröffentlicht in:	Condensed Matter Physics
Datum:	2018
Hauptverfasser:	Leini, W., Zhang, T., Wu, Z., Wei, N.
Format:	Artikel
Sprache:	Englisch
Veröffentlicht:	Інститут фізики конденсованих систем НАН України 2018
Online Zugang:	https://nasplib.isofts.kiev.ua/handle/123456789/157048
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!
Назва журналу:	Digital Library of Periodicals of National Academy of Sciences of Ukraine
Zitieren:	First-principles study of the structural, phonon, elastic, and thermodynamic properties of Al3Ta compound under high pressure / W. Leini, T. Zhang, Z. Wu, N. Wei // Condensed Matter Physics. — 2018. — Т. 21, № 1. — С. 13601: 1–10. — Бібліогр.: 35 назв. — англ.

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