First-principle studies of Al–Ru intermetallic compounds

The structural properties, heat of formation, elastic properties, and electronic structures of six kinds of binary Al–Ru intermetallics were studied using first-principle calculations. The structural properties of these intermetallic compounds agree well with previously reported experimental data ex...

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Veröffentlicht in:	Intermetallics 2008-02, Vol.16 (2), p.333-339
Hauptverfasser:	Wen, Bin, Zhao, Jijun, Bai, Fudong, Li, Tingju
Format:	Artikel
Sprache:	eng
Schlagworte:	A. Aluminides, miscellaneous B. Crystallography E. Ab initio calculations
Online-Zugang:	Volltext
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