Computational Study of Ductile Sc-Intermetallics |
| P. Bhardwaja, R. Bhardwajb, A.P. Mishraa
aDepartment of Physics, APS University, Rewa (MP), 468003, India bDepartment of Mathematics, Amity University, Kolkata (WB), 700135, India |
| Received: February 18, 2020; in final form March 25, 2020 |
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| The electronic and elastic properties of PdSc and PtSc intermetallic compounds are reported in this paper. These intermetallics crystallize in the CsCl (B2-type) structure. The ground state properties such as lattice constant a, bulk modulus B, and its pressure derivative B' are calculated. These results show good agreement with the experimental and other theoretical results. The elastic constants were calculated. Besides we have studied Murnaghan's equation of state to obtain thermodynamical quantity. The present intermetallics confirm their ductile nature. |
DOI:10.12693/APhysPolA.137.1193 topics: intermetallic compounds, electronic properties, elastic properties |