Structural, electronic and elastic properties of the cubic Laves phases SrX2 (X=Pd and Pt) with Fd-3m (No. 227) space group and crystallize in the MgCu2 structure are studied using the all-electrons full potential linearized augmented plane wave (FP-LAPW) method as implemented in the Wien2k code. The exchangecorrelation potential (Exc) was treated within the scheme of Perdew, Burke, and Ernzerhof generalized gradient approximation (PBE-GGA). In present calculations, studied compounds show a metallic characteristic. When the palladium element was replaced with the platinum, the Fermi level was observed to be increased, indicating an increase in the additional valence electrons that filled the hybridized bonding states. The elastic constants were calculated for both compounds and show that the two compounds suitably verify the Born’s mechanical stability criteria and have the ductile manner behaviors.

Title

Chinese Journal of Physics

Publisher

Elsevier

Publisher Country

China

Publication Type

Both (Printed and Online)

Volume

59

Year

2019

Pages

210-2019