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Study of Structural and Electronic Properties of Ternary PdMnGe Half-Heusler Alloy

Authors: F. Bendahma, M. Mana, B. Bestani, S. Bentata

Abstract:

This study deals with the structural and electronic properties of ternary PdMnGe Half-Heusler alloy using the full potential linearized augmented plane wave (FP-LAPW) method based on the density functional theory (DFT) as implemented in the WIEN2k package, within the framework of generalized gradient approximation (GGA). Structural parameters, total and partial densities of states were also analyzed. The obtained result shows that the studied material is metallic in GGA treatment. The elastic constants (Cij) show that our compound is ductile, stiff and anisotropic.

Keywords: Full potential linearized augmented plane wave, generalized gradient approximation treatment, Half-Heusler, structural and electronic properties.

Digital Object Identifier (DOI): doi.org/10.5281/zenodo.3346740

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