Influence of Zn2+ Doping on CaFe2O4 Spinel Ferrites: An Analysis of Experimental Charge Density and Magnetism

Robert, M. Charles; Thavarani, M.; Pavithra, N.; Prasath, S. Balaji; Saravanan, R.; Kannan, Y. B.

doi:10.1007/s10948-022-06176-x

Cited by 7 publications

(3 citation statements)

References 44 publications

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“…[ 36 ] This approach may be used to determine the exact nature of the bonding between the atoms as well as the distribution of electrons in the bonding area. [ 37,38 ] VESTA, [ 39 ] a graphical software, is used to visualize 3D and 2D electron density mapping and 1D numerical critical bond density, whereas Dysnomia [ 40 ] did MEM calculations.…”

Section: Resultsmentioning

confidence: 99%

“…[36] This approach may be used to determine the exact nature of the bonding between the atoms as well as the distribution of electrons in the bonding area. [37,38] VESTA, [39] a graphical software, is used to visualize 3D and 2D electron density mapping and 1D numerical critical bond density, whereas Dysnomia [40] did MEM calculations. A distinct difference in the electron density due to Fe doping in SnS 2 nanoparticles is seen in Figure 1a,b just like the MEM analysis in Fe doped Cr 2 O 3 .…”

Section: Electronic Structural Analysismentioning

confidence: 99%

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Structure, Electron Density Distribution using Maximum Entropy Method, Optical and Magnetic Characteristics of Fe Doped SnS₂

Pavithra

Robert

2023

Cryst. Res. Technol.

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Two dimensional layered magnetic materials like Fe‐doped SnS2 are cheap, abundant, and biocompatible, used for spintronics applications. The hydrothermal synthesized hexagonal nano disc structure of the sample is seen in the SEM images at room temperature. Pure SnS2, which is diamagnetic with magnetization 0.02067 emu/g becomes soft ferromagnetic by 2.5 % Fe doping with 0.672 emug−1 saturation magnetization and 0.222 kOe coercivity. A ultraviolet‐visible spectrometer measurement of the energy bandgap reveals a drop in energy from 2.35 to 2.2 eV, and the PL spectrum displays intense blue emission at a wavelength of 482–484 nm. Maximum entropy method (MEM), confirmed the ionic to covalent conversion upon Fe doping, due to the residual charge accumulation at the intermediate regions. The electron densities in Fe doped system in the plane (023) at Bond Critical Point of Sn─S and S─S are 0.327 and 0.354 e Å−3, respectively, with negative total energy density values confirming covalent bonding. A high electron density of 0.856 e Å−3 at the Sn─Sn region confirms interstitial charge accumulation. This introduces new intermediate energy levels in the forbidden region, reducing the energy bandgap and making the substance more semiconducting, making it useful for optical, opto‐electronic, and half‐metal applications.

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Section: Resultsmentioning

confidence: 99%

“…[36] This approach may be used to determine the exact nature of the bonding between the atoms as well as the distribution of electrons in the bonding area. [37,38] VESTA, [39] a graphical software, is used to visualize 3D and 2D electron density mapping and 1D numerical critical bond density, whereas Dysnomia [40] did MEM calculations. A distinct difference in the electron density due to Fe doping in SnS 2 nanoparticles is seen in Figure 1a,b just like the MEM analysis in Fe doped Cr 2 O 3 .…”

Section: Electronic Structural Analysismentioning

confidence: 99%

Structure, Electron Density Distribution using Maximum Entropy Method, Optical and Magnetic Characteristics of Fe Doped SnS₂

Pavithra

Robert

2023

Cryst. Res. Technol.

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“…By substituting atoms in the A and B sites, the cationic distribution of ferrites undergoes modification. Transition metal cations, including Zn 10 and Ti, 11 can be integrated across a wide range of applications.…”

Section: Introductionmentioning

confidence: 99%

Influence of potassium doping on the structural, conduction mechanism, and dielectric properties of CaFe₂O₄

Bouzayani,

Ben Abdessalem,

Soudani

et al. 2024

RSC Adv.

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The structural, magnetic and electrical properties of chromium doped calcium ferrite nanoparticles

UmashankaraRaja,

Manjunatha,

Vidya

et al. 2024

Chemical Physics Impact

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Influence of Zn2+ Doping on CaFe2O4 Spinel Ferrites: An Analysis of Experimental Charge Density and Magnetism

Cited by 7 publications

References 44 publications

Structure, Electron Density Distribution using Maximum Entropy Method, Optical and Magnetic Characteristics of Fe Doped SnS₂

Structure, Electron Density Distribution using Maximum Entropy Method, Optical and Magnetic Characteristics of Fe Doped SnS₂

Influence of potassium doping on the structural, conduction mechanism, and dielectric properties of CaFe₂O₄

The structural, magnetic and electrical properties of chromium doped calcium ferrite nanoparticles

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Influence of Zn2+ Doping on CaFe2O4 Spinel Ferrites: An Analysis of Experimental Charge Density and Magnetism

Cited by 7 publications

References 44 publications

Structure, Electron Density Distribution using Maximum Entropy Method, Optical and Magnetic Characteristics of Fe Doped SnS2

Structure, Electron Density Distribution using Maximum Entropy Method, Optical and Magnetic Characteristics of Fe Doped SnS2

Influence of potassium doping on the structural, conduction mechanism, and dielectric properties of CaFe2O4

The structural, magnetic and electrical properties of chromium doped calcium ferrite nanoparticles

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Product

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Structure, Electron Density Distribution using Maximum Entropy Method, Optical and Magnetic Characteristics of Fe Doped SnS₂

Structure, Electron Density Distribution using Maximum Entropy Method, Optical and Magnetic Characteristics of Fe Doped SnS₂

Influence of potassium doping on the structural, conduction mechanism, and dielectric properties of CaFe₂O₄