First-Principles Study of Structural, Electronic and Magnetic Properties of Cr-Doped MgS

Gous, Mohammed Hadi; Meddour, Athmane; Bourouis, Chahrazed

doi:10.1007/s10948-016-3621-0

Cited by 12 publications

(1 citation statement)

References 31 publications

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“…The magnetism in the resultant compound is caused by the Mn-3d state. According to the Hund's rule, the total magnetic moment is produced due to presence of unpaired electrons [22]. The 5 μB is the total magnetic moment of per dopant atom in Be 1−x Mn x Te which arises due to the Mn-3d ions of local magnetic moment and strong pd hybridization between p state of Te and 3d states of Mn.…”

Section: Optical and Magnetic Propertiesmentioning

confidence: 99%

First principle insight on Mn doped BeTe compound for optoelectronic and spintronic applications

Ambreen¹,

Aldaghfag²,

Yaseen³

et al. 2022

Phys. Scr.

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The structural, electronic, optical, magnetic and thermoelectric (TE) features of pristine and Mn doped BeTe compound were computed by mean of FP-LAW method. Magnetic stability at various doping concentrations in ferromagnetic (FM) ordering is investigated by minimizing the total ground state energies. A semiconductor behavior is predicated for BeTe and Be1-xMnxTe (X=6.25, 12.5, 18.75, 25%) because of the fact that spin-up and spin-dn show semiconductor character with direct band gap (Eg). The total and partial density of states of resultant compound have also been calculated. Furthermore, the dilute magnetic semiconductors (DMS) have been considered as the potential candidate to be used in spintronics devices. The magnetic moment of Be1-xMnxTe (X=6.25, 12.5, 18.75, 25%) has been studied by increasing the concentration of Mn atoms. The contribution of the Mn atoms is significant in the total magnetic moment of resultant alloys, while it is minor in Be and Te. Moreover, the optical features revealed the maximum absorption of light in visible to UV span of electromagnetic spectrum which makes it a potential candidate for optoelectronic applications. Outcome suggest that Mn doped BeTe is an interesting candidates for various technological applications

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Section: Optical and Magnetic Propertiesmentioning

confidence: 99%

First principle insight on Mn doped BeTe compound for optoelectronic and spintronic applications

Ambreen¹,

Aldaghfag²,

Yaseen³

et al. 2022

Phys. Scr.

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Investigation of Mg_1−xNi_xS Alloys for Spintronic and Optoelectronic Application

Haider,

Saleem,

Aldaghfag

et al. 2024

Physica Status Solidi (b)

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Herein, the full potential linearized augmented plane wave (FP‐LAPW) method based on density functional theory has been used to compute the electro‐optical and magnetic characteristics of Mg1−xNixS (x = 0%, 6.25%, 12.5%, and 25%) alloys. The stability of the Mg1−xNixS alloys is verified by the enthalpy of formation energy. In electronic features, the band structure and density of states (DOS) demonstrate the semiconducting behavior in pristine MgS compound, while Mg1−xNixS alloys show half‐metallic ferromagnetic to metallic behavior based on the doping concentration. DOS exhibit a strong pd‐hybridization between Ni‐d and S‐p orbitals in the conduction band). For 6.25%, 12.5%, and 25% concentrations, the calculated total magnetic moment is 1.45364, 1.93086, and 0.71829 μB, respectively which is primarily owing to transition metal d states. Optical characteristics including refraction, absorption, complex dielectric function, and reflectivity are studied in the range of 0–10 eV at various concentrations. The absorption of light is noted from visible to UV spans which increase their significance for optoelectronic usages. Results of Mg1−xNixS alloys reveal their potential applications in optical and magnetic storage devices.

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First Principle Investigation on the Magnetism of Zinc Blende Structures of 3d (Cr, V, Mn, Cu, Sc)-Doped CdS

Yahi

Bourouis

Meddour

2020

J Supercond Nov Magn

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First-Principles Study of Structural, Electronic and Magnetic Properties of Cr-Doped MgS

Cited by 12 publications

References 31 publications

First principle insight on Mn doped BeTe compound for optoelectronic and spintronic applications

First principle insight on Mn doped BeTe compound for optoelectronic and spintronic applications

Investigation of Mg_1−xNi_xS Alloys for Spintronic and Optoelectronic Application

First Principle Investigation on the Magnetism of Zinc Blende Structures of 3d (Cr, V, Mn, Cu, Sc)-Doped CdS

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First-Principles Study of Structural, Electronic and Magnetic Properties of Cr-Doped MgS

Cited by 12 publications

References 31 publications

First principle insight on Mn doped BeTe compound for optoelectronic and spintronic applications

First principle insight on Mn doped BeTe compound for optoelectronic and spintronic applications

Investigation of Mg1−xNixS Alloys for Spintronic and Optoelectronic Application

First Principle Investigation on the Magnetism of Zinc Blende Structures of 3d (Cr, V, Mn, Cu, Sc)-Doped CdS

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Investigation of Mg_1−xNi_xS Alloys for Spintronic and Optoelectronic Application