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 allelectrons
full potential linearized augmented plane wave (FP-LAPW) method as implemented in
the Wien2k code. The exchange-correlation 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 SCIENCE

Publisher Country

New Caledonia

Indexing

Thomson Reuters

Impact Factor

1.051

Publication Type

Prtinted only

Volume

59

Year

2019

Pages

10