Analysis of the Structural, Electronic and Magnetic Properties of Pd2FeTl

Abstract

The electronic, magnetic and structural properties of Pd2FeTl compound were investigated in this study. The Vienna Simulation Package program was used to perform calculations, based on DFT and Generalized Gradient Approximation. The lattice parameter of 6.360A0 and its magnetic moment value of 3.063μB/f.u. are calculated. The values for the magnetic moment and lattice parameter were found to be in conformity with those in the literature. As electronic properties and band structures were calculated, also the density of state curves compatible with the band structures were drawn. There is no band gap between the energy bands in terms of Pd2FeTl compound and according to the calculations, this compound has a metallic structure.

Keywords

• Electronic structure
• DFT
• GGA-PBE
• Magnetic property
• Pd2FeTl

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