Study of the microstructure and the optical, electrical, and magnetic feature of the Dy2Bi2Fe4O12 ferromagnetic semiconductor

Rare-earth ferrobismuthites: ferromagnetic ceramic semiconductors with applicability in spintronic devices

“…The results of the total density of states for the two spin-up and spin-down polarizations under the distortional effect for R=Dy are presented in figure 6c. The most notable characteristics are the tendency of the material to adopt an insulating nature for the two spin orientations eliminating the semiconductor character and the permanence of the ferromagnetic behavior in accordance with the experimental results for R=Eu, Sm, and Dy, respectively (Cuervo-Farfán et al, 2018;Cuervo-Farfán et al, 2020;Nieto-Camacho et al, 2020). The average band gap calculated for the two spin orientations from the curves in figure 6c is 3.5 eV.…”

“…Once the samples were obtained, we proceeded to the structural characterization by obtaining an X-ray diffraction pattern (XRD) at room temperature followed by a careful Rietveld analysis of the experimental data. The results of this analysis revealed that the most stable crystallization structure corresponded to the Pnma space group (number 62) characteristic of orthorhombic perovskite-type materials (Cuervo-Farfán et al, 2020;Cuervo-Farfán et al, 2018;Nieto-Camacho et al, 2020). For this crystalline system, an octahedral tilt of the type a + bb -, characterized by the existence of two rotation angles with similar magnitude values and opposite directions, is expected.…”

“…This material has a rhombohedral structure (space group R3c) at T=300 K (Xu et al, 2009) evidencing antiferromagnetism below the Néel temperature (T N ) of ≈640 K and ferroelectricity at temperatures below the Curie temperature (T C ) of ≈1100 K (Wu et al, 2010). When the bismuth ferrite BiFeO 3 binds to the rare-earth orthoferrite RFeO 3 described above, it allows the formation of a complex structure of the Bi 0.5 R 0.5 FeO 3 type (Cuervo-Farfán et al, 2018;Nieto-Camacho et al, 2020;Garrido et al, 2021).…”

First-principles calculations to investigate elastic, electronic and thermophysical properties of the Dy2Bi2Fe4O12 ferromagnetic semiconductor

“…The electronic levels were filled by adopting the Methfessel-Paxton technique with a mixing factor of 0.1 eV [24]. In search of the perovskite equilibrium configuration, the possible occupations of Dy and Bi atoms in the crystallographic sites of the material were studied, considering the experimentally reported Pnma space group [13]. Grids of 9 × 7 × 9 k points representing 100 k points in the irreducible Brillouin zone (IBZ) were considered for these configurations.…”

“…A recent report shows that the conjunction of two simple perovskites of Dysprosium orthoferrite and ferrobismuthite type, forming the Dy 2 Bi 2 Fe 4 O 12 complex perovskite, gives rise to a ferromagnetic semiconductor response at room temperature, suggesting the possibility of diverse multifunctional applications in devices where electronic spin manipulation and control of electric charge carriers takes place by manipulation of magnetic fields [13]. The aim of the present research is to study the structural, elastic and electronic properties of the promising material Dy 2 Bi 2 Fe 4 O 12 through density function theory (DFT), which has become a suitable methodology for the prediction of physical properties in perovskite-type materials [14], in order to correlate the microscopic mechanisms that give rise to the semiconducting ferromagnetic response and to predict temperature-dependent behaviours that allow to propose applications in spintronic devices.…”