Title of article
Structural stability of the - Ti5Sn2Si compound
Author/Authors
Colinet، نويسنده , , Catherine and Tedenac، نويسنده , , Jean-Claude، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2011
Pages
5
From page
643
To page
647
Abstract
The formation energy of the D 8 m - 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 D 8 m - Ti5Sn2Si compound is stable and the calculated lattice parameters are in good agreement with the experimental values.
Keywords
structure , stability , Ti5Sn2Si
Journal title
Calphad
Serial Year
2011
Journal title
Calphad
Record number
1816114
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