Abstract
In this paper, structural, magnetic and electronic properties of FeRhxPd1-x (x = 0, 0.125, and 0.25) were investigated by first principles calculations. The two types of crystal structures CuAu-type and CsCl-type are considered. The lattice parameters, energy, partial and total magnetic moments, formation energy, total density of electronic states and the projected density of states for t2g and eg orbitals for Fe–Rh–Pd with different magnetic ordering are calculated.
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