doi: 10.17706/ijapm.2015.5.3.227-233
Ab-Initio Reinvestigation of the (Sr-In) Binary System
Raouf Beddiaf
1
,
,
- 1 Laboratory of Physical and Chemical Study of Materials (LEPCM), Physics Department, Faculty of Science, University of Batna, Algeria, 05000, Algeria
- 2 Science and Technology Department, Faculty of Technology, University of Gherdaia, 47000, Algeria.
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.
Keywords
- Sr-In compounds
- crystal structure
- first principles
- ABINIT
How to Cite
Raouf Beddiaf, Yassin Djaballah, and 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. https://doi.org/ 10.17706/ijapm.2015.5.3.227-233
Copyright & License
Copyright © 2015 by the authors. This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited (CC BY 4.0).