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.