Structural and magnetic properties of Cd-Ni spinel ferrites: density functional theory calculations and high-temperature series expansions. (1st November 2020)

• Record Type: Journal Article
• Authors: Azouaoui, A.; Benzakour, N.; Hourmatallah, A.; Bouslykhane, K.
• Is Part Of: Phase transitions. Volume 93:Number 10/11(2020)
• Page Start: 946
• Page End: 961
• Publication Date: 2020-11-01
• Subjects: DFT -- high-temperature series expansions -- critical temperature -- Padé approximants -- magnetic moment; Phase transformations (Statistical physics) -- Periodicals; 530.47405
• DOI: 10.1080/01411594.2020.1813289
• Languages: English
• ISSNs: 0141-1594

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 C d x N i 1 − x F e 2 O 4 in the range 0 ≤ x ≤ 1 . High-temperature series expansions (HTSE) combined with the Padé approximants (PA) method and mean field theory (MFT) are applied to the C d x N i 1 − x F e 2 O 4 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 C d x N i 1 − x F e 2 O 4 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.