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Article Dans Une Revue Calphad Année : 2011

Structural stability of the D8m- Ti5Sn2Si compound

Résumé

The formation energy of the D8m- Ti5Sn2Si compound is calculated employing electronic density-functional theory (DFT) using pseudopotentials constructed by the projector augmented waves (PAW) method in the generalized gradient (GGA) approximation for the exchange and correlation energy. The D8m- Ti5Sn2Si compound is stable and the calculated lattice parameters are in good agreement with the experimental values.

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Matériaux
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Dates et versions

hal-00756420 , version 1 (23-11-2012)

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Catherine Colinet, Jean-Claude Tedenac. Structural stability of the D8m- Ti5Sn2Si compound. Calphad, 2011, 35 (4), pp.643-647. ⟨10.1016/j.calphad.2011.05.008⟩. ⟨hal-00756420⟩
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