Abstract—Sr–In intermetallics were studied by first-principles calculations within density functional theory (DFT) with the projector augmented-wave technique (PAW) and the generalized gradient approximations (GGA) as implemented in the ABINIT code. Six intermetallics: SrIn5, SrIn3, SrIn2, SrIn, Sr5In3 and Sr3In were investigated in their observed experimental structures. The lattice constants, enthalpies of formation and bulk modulus of the Sr-In intermetallics have been calculated. The calculated lattice constants and enthalpies of formation are in good agreement with experimental and other theoretical results.

Index Terms—Sr-In compounds, crystal structure, first principles, ABINIT.

Raouf Beddiaf and Yassin Djaballah are with Laboratory of Physical and Chemical Study of Materials (LEPCM), Physics Department, Faculty of Science, University of Batna, Algeria, 05000, Algeria (email: rbeddiaf@gmail.com).
Hichem Bouderba is with Science and Technology Department, Faculty of Technology, University of Gherdaia, 47000, Algeria.

Cite: Raouf Beddiaf, Yassin Djaballah, Hichem Bouderba, "Ab-Initio Reinvestigation of the (Sr-In) Binary System," International Journal of Applied Physics and Mathematics vol. 5, no. 3, pp. 227-233, 2015.