On the structure–property relationships of (Al, Ga, In)-doped spinel cobalt ferrite compounds: a combined experimental and DFT study

Abstract

We report a combined experimental and theoretical study of pure and doped cobalt ferrite where 25% of Fe3+ ions were replaced by each Al3+, Ga3+, and In3+ ions i.e., CoFe1.5...

Structural, electronic, magnetic, and optical properties of MFe2O4 (M = Ni, Fe, Co) spinel ferrites: A density functional theory study

“…Tables 4–6 showed the Mulliken analysis, magnetic moment, and saturation magnetization of spinel MFe 2 O 4 (M = Ni, Fe, Co) ferrites computed at various applied pressures. For all pressures, Hirshfeld analyses are used to calculate the magnetic moments [57]. For NiFe 2 O 4 , Fe 3 O 4 , and CoFe 2 O 4 ferrites the computed saturated magnetizations were 79.06 [50], 99.33 [58], and 88.93 emu/g [59], respectively at 0 GPa, which significantly decreased to 78.7, 98.9, and 88.352 emu/g at 20 GPa, respectively.…”

Bendable Polycrystalline and Magnetic CoFe2O4 Membranes by Chemical Methods

“…Cation diffusion and doping in a spinel structure could distort its structure, altering the magnetization of saturation. 65 Therefore, it is very likely that the Al and Sr traces identified on the CFO membrane surface by XPS (Figure S6), probably due to the easy cation diffusion during the sample processing, could distort the CFO structure, diminishing M s . Thus, the thinner the membrane, the larger the contribution of Sr and Al and thus the lower the M s .…”

“…Notoriously, the 10 nm CFO membranes show a paramagnetic behavior. Cation diffusion and doping in a spinel structure could distort its structure, altering the magnetization of saturation . Therefore, it is very likely that the Al and Sr traces identified on the CFO membrane surface by XPS (Figure S6), probably due to the easy cation diffusion during the sample processing, could distort the CFO structure, diminishing M s .…”

Impact of the rhenium substitution on the oxygen evolution reaction of spinel CoFe2O4

“…The two bands between 0 and 2 eV are expected to originate from the pure Re atoms due to the large doping ratio in the calculation, indicating the inuence of Re dopants on the properties of the structure. To further demonstrate the contribution of each type of atom to the states, 32,43 the projected density of states of the three structures are calculated and enclosed in Fig. 5 (d-f).…”