DFT investigation of half-metallic ferromagnetic rare earth based spinels MgHo2Z4 (Z = S, Se)

Zanib, Maiza; Manzoor, Mumtaz; Noor, N.A.; Iqbal, Muhammad Waqas; Asghar, Mazia; Hegazy, H.H.; Laref, A.

doi:10.1016/j.jre.2023.02.002

Cited by 9 publications

(1 citation statement)

References 51 publications

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“…Furthermore, one needs sufficient control over factors that cause electron spins to speed up data storage in nanoscale devices. Due to its reduced size and fast processing, non-volatile memory (NVM) is a situation where this is crucial [4,5]. Despite all the benefits of spintronic devices and their uses, there are still two significant obstacles: high-temperature phase instability and magnetic ion clustering.…”

Section: Introductionmentioning

confidence: 99%

Control of spin on ferromagnetism and thermoelectric properties of Sr(V/Cr)₂S₄; emergent spintronic aspirant

Nazir,

Mahmood,

Zelai

et al. 2024

Phys. Scr.

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Strontium-based spinel chalcogenides show great potential in energy harvesting and spintronics applications. This study extensively examines the electronic, ferromagnetic, and thermoelectric characteristics of SrZ2S4 (Z = V, Cr) spinels. Stability of the cubic phase in a ferromagnetic state is confirmed through formation energy and the energy released upon optimization. Spin polarization and Curie temperature were assessed using density of states (DOSs) analysis and the Heisenberg model, respectively. The investigation of ferromagnetism encompassed exchange energies, the double exchange mechanism, exchange constants, and hybridization processes. The observed reduction in magnetic moment for V/Cr and its redistribution to nonmagnetic (Sr, S) sites suggest that ferromagnetism stems from electron exchange, not from clustering of V/Cr atoms. Furthermore, the study delves into thermoelectric properties, including electrical and thermal conductivities, the Seebeck coefficient (S), and power factor, highlighting their significance for energy applications. The findings reveal ultralow thermal conductivity values, which minimize thermal effects on electron spin, thereby enhancing device longevity. Collectively, these insights underscore the critical role of electron exchange in ferromagnetism and its implications for energy device performance.

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Section: Introductionmentioning

confidence: 99%

Control of spin on ferromagnetism and thermoelectric properties of Sr(V/Cr)₂S₄; emergent spintronic aspirant

Nazir,

Mahmood,

Zelai

et al. 2024

Phys. Scr.

View full text Add to dashboard Cite

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A DFT Calculations of Mechanical, Optoelectronic and Transport Properties of Cubic AMgI3 (A = Li/Na) Halides for Photovoltaic and Energy Conversion Applications

Manzoor,

Tewari,

Ansar

et al. 2024

J Inorg Organomet Polym

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First-Principles Study of Novel BaLnAgSe3 (Ln = Er, Gd) Active UV-reflecting Materials for Optoelectronic and Thermoelectric Applications

Khan,

Gul,

Mohamed

et al. 2024

J Inorg Organomet Polym

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DFT investigation of half-metallic ferromagnetic rare earth based spinels MgHo2Z4 (Z = S, Se)

Cited by 9 publications

References 51 publications

Control of spin on ferromagnetism and thermoelectric properties of Sr(V/Cr)₂S₄; emergent spintronic aspirant

Control of spin on ferromagnetism and thermoelectric properties of Sr(V/Cr)₂S₄; emergent spintronic aspirant

A DFT Calculations of Mechanical, Optoelectronic and Transport Properties of Cubic AMgI3 (A = Li/Na) Halides for Photovoltaic and Energy Conversion Applications

First-Principles Study of Novel BaLnAgSe3 (Ln = Er, Gd) Active UV-reflecting Materials for Optoelectronic and Thermoelectric Applications

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DFT investigation of half-metallic ferromagnetic rare earth based spinels MgHo2Z4 (Z = S, Se)

Cited by 9 publications

References 51 publications

Control of spin on ferromagnetism and thermoelectric properties of Sr(V/Cr)2S4; emergent spintronic aspirant

Control of spin on ferromagnetism and thermoelectric properties of Sr(V/Cr)2S4; emergent spintronic aspirant

A DFT Calculations of Mechanical, Optoelectronic and Transport Properties of Cubic AMgI3 (A = Li/Na) Halides for Photovoltaic and Energy Conversion Applications

First-Principles Study of Novel BaLnAgSe3 (Ln = Er, Gd) Active UV-reflecting Materials for Optoelectronic and Thermoelectric Applications

Contact Info

Product

Resources

About

Control of spin on ferromagnetism and thermoelectric properties of Sr(V/Cr)₂S₄; emergent spintronic aspirant

Control of spin on ferromagnetism and thermoelectric properties of Sr(V/Cr)₂S₄; emergent spintronic aspirant