Structural and Electronic Properties of ScPt₃ and YPt₃ Intermetallic Compounds

Abstract:

The bonding nature as well as structural and electronic properties of cubic XPt₃ (X=Sc and Y) intermetallic compounds, which crystallize in AuCu₃-type structure have been investigated using a full-potential linearized augmented plane wave (FP-LAPW) method within generalized gradient approximation (GGA). The equilibrium lattice parameters (a₀), bulk modulus (B), pressure derivative of bulk modulus (B’) have been obtained using optimization method. Electronic properties of these compounds have been analyzed from band structure and Fermi surfaces.

• Periodical: Journal of Metastable and Nanocrystalline Materials (Volume 28)
• Pages: 12-15
• DOI: https://doi.org/10.4028/www.scientific.net/JMNM.28.12
• Online since: December 2016
• Authors: Nikita Acharya, Bushra Fatima, Sankar P. Sanyal
• Keywords: Density Functional Theory, Electronic Structure, Intermetallic Compounds

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