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
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
