Performance of hybrid functional in linear combination of atomic orbitals scheme in predicting electronic response in spinel ferrites ZnFe2O4 and CdFe2O4

Photostriction of Ferrites Under Visible Light

“…It is known that photoinduced carriers in semiconductors can cause large lattice deformations through strong electron–electron and electron–phonon interactions. , For the materials CaFe 2 O 4 , CdFe 2 O 4 , and YFeO 3 , their band gaps are determined by the Fe 3d and O 2p orbitals. − Under laser irradiation, the process of electron transfer from the O 2p to Fe 3d orbitals would reduce the potential energy between the Fe atom and O atom (weak potential energy state), which is manifested by the elongation of the Fe–O bond, and then the oxygen octahedron would be distorted, resulting in a nonuniform expansion of the lattice and photostriction. In this process, the more obvious the elongation of the Fe–O bond caused by the electron transfer, the stronger the photostrictive effect is likely to be.…”

Nanostructured ZnFe2O4: An Exotic Energy Material

“…Zn-ferrites exhibit a unique set of functional properties [ 9 , 10 , 11 , 12 , 13 , 14 , 15 , 16 , 17 , 18 , 19 , 20 , 21 ]; it possesses a normal spinel structure (ZnFe 2 O 4 ) in the bulk form at room temperature, whereas inverted spinel structure has been observed at the nanoscale. The electronic band structure calculations predict the insulating character of ZnFe 2 O 4 [ 9 , 10 , 11 , 12 ]. The reported room temperature resistivity value of ZnFe 2 O 4 is ρ = 2 × 10 2 (Ω·cm), which is two to three orders of magnitude lower than other spinel ferrites [ 13 ].…”