First principle investigation of the electronic structure of spinel Fe3O4

Islam, Riyajul; Molongnenla,; Saikia, D.

doi:10.1063/1.5113187

Cited by 7 publications

(5 citation statements)

References 11 publications

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“…The non-symmetrical behavior of each spin channel indicates that the alloy bears a magnetic character. Thus, we can say that our DOS plots are clearly in accordance with the electronic band structure shown above [10]. Figure 11 shows the partial density of states of cobalt (Co), manganese (Mn), and tin (Sn) atoms for spin alpha and spin beta channels.…”

Section: Resultssupporting

confidence: 81%

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Electronic, structural and magnetic properties of Co2MnSn Alloy

Teuto

Kubayashi

2023

ETN

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Spintronics is the new emerging field that recasts the modern information technology using electron spin along with its charge. Various spintronic devices have been under research for the last few years such as GMR based devices, MRAMs, etc. These devices are based on the conventional ferromagnetic materials that exhibit spin asymmetry. Half metallic ferromagnetic materials, especially Heusler alloys, are considered as most promising candidates because of high spin polarization. Previously, Heusler alloys have been investigated theoretically. Few experimental reports are available that belong to high-cost vacuum-based methods. Furthermore, detailed magnetic study at room temperature is rare to be found. In this research work, structural, electronic and magnetic properties of Co2MnSn Full Heusler alloy are investigated experimentally and through density functional theory by ADF. Theoretical results of this study predict the half metallic and asymmetric behavior of the Co2MnSn Full Heusler alloy with L21 structure. The cobalt manganese tin thin films are prepared by the electrodeposition method by varying applied reducing potential from 1 to 2V. Mixed phases are observed at an applied potential ranging from 1V to 1.5V. Co2MnSn phase of full Heusler alloy is observed at an applied voltage of 1.75V. Further increase in applied voltage to 2V results in strengthening and stability of Co2MnSn phase. Magnetic moment B of 4.10 is in close agreement to the one calculated by Slater-Pauling Rule for full Heusler alloys. The M-H loops of cobalt manganese tin Heusler alloy electrodeposited thin films exhibit soft ferromagnetic behavior. Arrott plots show the ferromagnetic nature of cobalt manganese tin electrodeposited thin films by exhibiting convex shape. MH curves show variation in exchange bias with varying the applied potential.

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Section: Resultssupporting

confidence: 81%

“…However, increase in cobalt content was observed at higher voltages. Such variation in the content of cobalt, manganese and tin can be attributed to the thermodynamic reactions that show almost stable current response in the range of 1.5-2V as observed using cyclic voltammetry [10]. The Co2MnSn structure was shown in Fig.…”

Section: Resultsmentioning

confidence: 77%

Electronic, structural and magnetic properties of Co2MnSn Alloy

Teuto

Kubayashi

2023

ETN

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“…According to the number of previous reports, band-structure calculations predict that the half-metallic nature Fe 3 O 4 has the capacity for attaining 100% spin polarization of the transport carriers at the Fermi level. [19][20][21] Moreover, half-metallic Fe 3 O 4 has a different density of states at the Fermi level for spin down and spin up, the electrical conductivity of the conductive minority spin electrons (spin-down) differs substantially from semiconducting majority spin electrons (spin-up), which results in a spin-polarized electric current. 43,47,48 More interestingly, in the ground state, the Ag atom has 4d 10 configuration which shows that it has completely filled d-orbitals.…”

Section: Resultsmentioning

confidence: 99%

“…17,18 Moreover, the ferromagnetic Fe 3 O 4 nanomaterial with insulating behavior for the majority spin-up electrons and metallic behavior for the minority spin-down electron has been theoretically predicted that holds almost 100% spin polarization on Fermi level. [19][20][21] Besides, the combination of the magnetic Fe 3 O 4 with metallic Ag is considered to be a promising material for spintronic applications. 22,23 Silver, as a noble metal, which usually has residual spin electrons due to their partially fulfilled p orbits is found to be effective for strong spin-orbit coupling and spin polarizing.…”

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confidence: 99%

An Insight into the Magnetic Field Effects on Spin-Dependent Electrochemical Redox Reactions and Electroreduction Kinetic Parameters by Using a Magneto-Plasmonic Ag@Fe₃O₄ Sensing Nanoplatform

Nguyen

Dinh

Nguyen

et al. 2023

J. Electrochem. Soc.

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Metallic-Ag@ferromagnetic-Fe3O4 nanoparticles have been used as a promising spintronics material to gain deeper insights into spintronics-related electrochemical reactions under the influence of an applied external magnetic field (MF) including spin polarization/transportation, and spin selectivity. Ferrocyanide/ferricyanide ([Fe(CN)6]3‒/4‒), paracetamol (PCM), and chloramphenicol (CAP) were chosen as the suitable reactants for one-electron transfer reversible redox reaction, two-electron transfer quasireversible redox reaction, and four-electron transfer irreversible reaction at Ag@Fe3O4 modified electrodes, respectively. By using an external MF-assisted electrochemical platform and magneto-plasmonic Ag@Fe3O4 electrode to trigger spin polarizing, spin transporting, and spin selectivity effects in electrode reactions, the selective enhancement of the electro-reduction reaction in comparison with electro-oxidation reaction has been elucidated. The obtained experimental data along with calculated electrochemical kinetic parameters indicate that an applied external MF affects the electrochemical kinetics (electron transfer kinetics, electrocatalytic activity and adsorption/diffusion capacity) of the one-, two-, and four-electron transfer processes in different ways. Considering the pronounced effects of magnetic field on overall electrochemical performance and intrinsic advantages of spintronics enhanced the electro-reduction reaction, these developed techniques could provide innovative strategies for the development of novel spin-dependent electrochemical sensing approaches.

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“…Since then, many experiments have been performed to overcome this problem until Dietl succeeded, using a Zener model description, in finding the ferromagnetic behavior at room temperature in the Ga 1−x Mn x N components [8,9] due to the magnetic cation concentrations and holes density, among others [10]. High Curie temperatures have also been observed in other components such as CrO 2 [11] and metal oxides Fe 3 O 4 [12], certain transition metal pnictides and chalcogenides with ZB structures such as CrTe [13], RbSe and CsTe with CsCl structures [14], Heusler alloys Co FeSn 2 [15] and perovskites as Pr 2 FeCrO 6 [16]. The synthesis of these compounds, as well as a large category of half-metallic ferromagnetic materials based on transition metal injection, has progressed rapidly through molecular beam epitaxy (MBE) [17], the sol-gel method [18] and the laser ablation method [19].…”

Section: Introductionmentioning

confidence: 99%

First-principles study of the strain effect with half-metallic ferromagnetism in Cd _1−x V _x Te alloys: supercell approaches

Essebbahi

Goumrhar²,

Drissi³

et al. 2023

Phys. Scr.

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In this work, we study the e ect of vanadium (V) dopents on the structural, electronic and magnetic properties of the CdTe alloys using density functional theory (DFT). The calculations are performed as function of the concentration of V, in the host CdTe semiconductor using a 2×2×1 tetragonal supercell and a 2 × 2 × 2 cubic supercell. The lattice constants and bulk modulus of Cd1−xVxTe alloys are determined. The analysis of the density of states show that the Cd0.75 V0.25Te alloys, in the both supercells, present a total polarization of 100% at the Fermi level, which con rms a stable half-metallic ferromagnetism phase in these materials. However, the alloys Cd0.9375V0.0625Te and Cd0.875V0.125Te are almost half-metallic (HM). In addition, the electronic band structures are used to estimate the s(p)−d exchange constants mainly resulting from the p − d hybridization between V-3d and Te-p. Furthermore, the local magnetic moment of V of its free space charge value decreases leading to the appearance of a small magnetic moment on the Cd and Te sites. Besides, the magnetic stability at di erent doping concentrations in the ferromagnetic (FM) and anti- ferromagnetic (AFM) states are examined, where the total energy of the systems is considered as a stability criterion. The Curie temperature is evaluated to be above the ambient temperature in all compounds. Finally, the robustness of the half-metallicity with respect to the variation of the lattice constants are also investigated.

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First principle investigation of the electronic structure of spinel Fe3O4

Cited by 7 publications

References 11 publications

Electronic, structural and magnetic properties of Co2MnSn Alloy

Electronic, structural and magnetic properties of Co2MnSn Alloy

An Insight into the Magnetic Field Effects on Spin-Dependent Electrochemical Redox Reactions and Electroreduction Kinetic Parameters by Using a Magneto-Plasmonic Ag@Fe₃O₄ Sensing Nanoplatform

First-principles study of the strain effect with half-metallic ferromagnetism in Cd _1−x V _x Te alloys: supercell approaches

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First principle investigation of the electronic structure of spinel Fe3O4

Cited by 7 publications

References 11 publications

Electronic, structural and magnetic properties of Co2MnSn Alloy

Electronic, structural and magnetic properties of Co2MnSn Alloy

An Insight into the Magnetic Field Effects on Spin-Dependent Electrochemical Redox Reactions and Electroreduction Kinetic Parameters by Using a Magneto-Plasmonic Ag@Fe3O4 Sensing Nanoplatform

First-principles study of the strain effect with half-metallic ferromagnetism in Cd 1−x V x Te alloys: supercell approaches

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Product

Resources

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An Insight into the Magnetic Field Effects on Spin-Dependent Electrochemical Redox Reactions and Electroreduction Kinetic Parameters by Using a Magneto-Plasmonic Ag@Fe₃O₄ Sensing Nanoplatform

First-principles study of the strain effect with half-metallic ferromagnetism in Cd _1−x V _x Te alloys: supercell approaches