Experimental and ab initio study of the hyperfine parameters of ZnFe 2 O 4 with defects

Rhombohedral distortion-driven ferroelectric order and exchange bias effect in geometrically frustrated ZnFe2O4

“…The paramagnetic state, as indicated by the doublet spectrum, is realized with an isomer shift (IS) of 0.36 mm/s and a quadrupole splitting (QS) of 0.45 mm/s. The value of the IS is consistent with that observed for the high-spin Fe 3+ state [29,30]. Figure 2(d) illustrates the SEM image.…”

“…The density functional theory further interpreted the nature of the AFM order [27,28]. Revisiting the Mössbauer studies, it was proposed that the disorder, either introduced by the external pressure or the internal pressure attributed to the chemical disorder, was found to be crucial for tuning the magnetism of ZFO [29][30][31][32]. The external pressure effect demonstrated an irreversible change in the unit-cell volume, correlating with a change in the spin state [31].…”

Ab initio study of the role of defects on the magnetic response and the structural, electronic and hyperfine properties of ZnFe2O4

“…The comparison of experimental results and ab-intio calculated hyperfine parameters can be used to determine the local structure around a probe site (Fe in the present case), as it was demonstrated in Ref. [69]. In Fig.…”