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.

العنوان

Chinese Journal of Physics

الناشر

ELSEVIER SCIENCE

بلد الناشر

كاليدونيا الجديدة

Indexing

Thomson Reuters

معامل التأثير

1,051

نوع المنشور

مطبوع فقط

المجلد

59

السنة

2019

الصفحات

10