Structural and magnetic properties of Cd-Ni spinel ferrites: density functional theory calculations and high-temperature series expansions

Abstract

ABSTRACT First-principles calculations of density functional theory (DFT) using the generalized gradient approximation (GGA) and generalized gradient approximation with the Hubbard U (GGA + U) for the exchange-correlation energy functional are used to investigate the structural, electronic, and magnetic properties of the spinel system in the range . High-temperature series expansions (HTSE) combined with the Padé approximants (PA) method and mean field theory (MFT) are applied to the systems. The lattice parameter and magnetic moment of Fe and Ni ions increase when Cd content x increases. Density of States (DOS) calculations show that the has a semiconductor behaviour. The obtained theoretical results show that the Curie temperature decreases with x. These obtained results are in agreement with experimental ones.