A FP-LAPW Study of Structural and Electronic Properties of NdPd3 Intermetallic Compound
A theoretical study of structural and electronic properties of NdPd3 intermetallic compound has been investigated systematically using first principles density functional theory. The calculations are carried out within LSDA for the exchange correlation potential. The ground state properties such as lattice parameter (a0), bulk modulus (B) and its pressure derivative (B′) are calculated and obtained lattice parameter of this compound shows well agreement with the experimental results. From energy dispersion curves, it is found that the studied compound is metallic in nature.
Balwant S. Arya, Prafulla K. Jha and Sankar P. Sanyal
V. Thakur et al., "A FP-LAPW Study of Structural and Electronic Properties of NdPd3 Intermetallic Compound", Journal of Metastable and Nanocrystalline Materials, Vol. 28, pp. 5-7, 2016