Thermo-Elastic and Lattice Dynamical Properties of Pd3X (X=Ti, Zr, Hf) Alloys: An Ab Initio Study
Using the generalized–gradient approximation(GGA) based on density functional theory, we have reportedthe structural, mechanical, electronic, and lattice dynamicalproperties of the intermetallic compounds Pd3X(X=Ti,Zr,Hf) with D024and the L12structures. The elastic constantswere predicted using the...
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| Veröffentlicht in: | Brazilian Journal of Physics |
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| Hauptverfasser: | , , , , |
| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
Sociedade Brasileira de Física
2015
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| Online-Zugang: | https://www.redalyc.org/articulo.oa?id=46442560004 |
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