Effect of dilution of both A- and B- sites on the multiferroic properties of spinal Mott insulators

The interactions among spin, orbital, and lattice are essential to reveal the complicated phase transitions in FeV2O4, a spinel with spin and orbital degrees of freedom both at Fe and V sites. By employing first-principle calculations, we investigate these interactions to propose the orbital ordering of Fe2+ and V3+ ions. At the Fe sites, orbital states transform from dz2 to dx2−z2, to dx2−y2, and to dy2−z2 accompanying structural phase transitions. At the V sites, one electron occupies the dxy, dxz, dxy, and dyz orbitals. The second electron occupies the dxz±dyz, dxy±dyz, dxz±dyz, and dxy±dxz orbitals, which alternate in the corresponding ab, ac, ab, and bc planes along the c, b, c, and a axes, respectively. The effect of spin-orbital coupling on the orbital ordering of Fe2+ and V3+ ions is not significant. The orbital orderings are driven by the combination of the Jahn-Teller distortions and the electron correlation effect.

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Successive orbital ordering transitions in FeV2O4 from first-principles calculation

Xie

Xing

Cao

2019

Journal of Applied Physics

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Multiferroic properties of GdFe0.9M0.1O3 (M = Ag1+, Co2+ and Cr3+) nanoparticles and evaluation of their antibacterial activity

et al. 2022

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Multifunctional nanoparticles NPs with material composition GdFe0.9M0.1O3; M = Ag, Co, and Cr have successfully been synthesized using the citrate auto-combustion technique. The single phase of the orthorhombic perovskite structure is ratified from the XRD data. The structural, magnetic, and thermoelectric power of the samples along with the results of antibacterial activities are reported in the present manuscript. The variation in the magnetization is argued in view of the strength and type of exchange interaction as well as buckling of the < BO6 > octahedron. The super exchange interaction between the Fe–O–Fe and the Cr–O–Cr and the randomness of Cr ions in the host lattice site are the main reasons behind the weak ferromagnetism obtained from GdFe0.9Cr0.1O3. Ferroelectricity and antiferromagnetism have a dissimilar origin and appear independently. The origin of antiferromagnetism is the spin canting of the B ions. However, the origin of the ferroelectric properties is the hybridization between B cations and O2− anion. The use of silver metal particles as antibacterial agents is noteworthy due to their advantages in terms of chemical stability, efficacy and long-term durability. These advantages can be extended by considering the relatively low toxicity of these particles to the human body compared to other inorganic metals.

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High-Pressure X-ray Diffraction and DFT Studies on Spinel FeV2O4

et al. 2022

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We have studied the behaviour of the cubic spinel structure of FeV2O4 under high-pressure by means of powder X-ray diffraction measurements and density-functional theory calculations. The sample was characterized at ambient conditions by energy-dispersive X-ray spectroscopy, Raman spectroscopy, and X-ray diffraction experiments. One of the main findings of this work is that spinel FeV2O4 exhibits pressure-induced chemical decomposition into V2O3 and FeO around 12 GPa. Upon pressure release, the pressure-induced chemical decomposition appears to be partially reversible. Additionally, in combination with density-functional theory calculations, we have calculated the pressure dependence of the unit-cell volumes of both the spinel and orthorhombic FeV2O4 crystal structures, whose bulk moduli are B0 = 123(9) and 154(2) GPa, respectively, finding the spinel FeV2O4 to exhibit the lowest bulk modulus amongst the spinel oxides. From experimental results, the same information is herein obtained for the cubic structure only. The Raman modes and elastic constants of spinel FeV2O4 have also obtained the ambient conditions.

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Effect of dilution of both A- and B- sites on the multiferroic properties of spinal Mott insulators

Cited by 3 publications

References 27 publications

Successive orbital ordering transitions in FeV2O4 from first-principles calculation

Successive orbital ordering transitions in FeV2O4 from first-principles calculation

Multiferroic properties of GdFe0.9M0.1O3 (M = Ag1+, Co2+ and Cr3+) nanoparticles and evaluation of their antibacterial activity

High-Pressure X-ray Diffraction and DFT Studies on Spinel FeV2O4

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