Rare earth based MgPm2X4 (X = S, Se) spinel chalcogenides for spintronic and thermoelectric applications

IF 5.2 1区化学 Q1 CHEMISTRY, APPLIED Journal of Rare Earths Pub Date : 2024-08-01 DOI:10.1016/j.jre.2023.10.001

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Abstract

In current report, the structural, magnetic, and thermoelectric properties of RE doped MgPm₂X₄ (X = S, Se) spinels were investigated. The energy difference in ferromagnetic and antiferromagnetic states reveals the stability of MgPm₂(S/Se)₄ in the ferromagnetic states. The computation of enthalpy of formation also ascertains thermodynamic stability of crystal structure. Spin-dependent band structure and density of states analysis reveal ferromagnetic semiconducting character showing different electronic behavior in both spin channels. The room temperature ferromagnetism, spin polarization and Curie temperature are estimated from exchange energies analysis. In addition, exchange constants (N₀α and N₀β), exchange energy Δ_x(pd), crystal field energy, and double exchange mechanism were studied to explore the magnetic response. Likewise, the electrical conductivity, thermal conductivity, Seebeck co-efficient, and power factor show effect on electrons spin and their potential for thermoelectric devices.

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用于自旋电子和热电应用的稀土基 MgPm2X4（X = S、Se）尖晶石铬化物

本报告研究了掺杂 RE 的 MgPm2X4（X = S、Se）尖晶石的结构、磁性和热电性能。铁磁态和反铁磁态的能量差揭示了 MgPm2(S/Se)4 在铁磁态的稳定性。对形成焓的计算也确定了晶体结构的热力学稳定性。与自旋相关的带状结构和态密度分析表明，铁磁性半导体在两个自旋通道中显示出不同的电子行为。室温铁磁性、自旋极化和居里温度是通过交换能分析估算出来的。此外，还研究了交换常数（N0α 和 N0β）、交换能 Δx(pd)、晶体场能和双交换机制，以探索磁响应。同样，电导率、热导率、塞贝克系数和功率因数也显示了对电子自旋的影响及其在热电设备中的潜力。

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来源期刊

Journal of Rare Earths 化学-应用化学

CiteScore

8.70

自引率

14.30%

发文量

374

审稿时长

1.7 months

期刊介绍： The Journal of Rare Earths reports studies on the 17 rare earth elements. It is a unique English-language learned journal that publishes works on various aspects of basic theory and applied science in the field of rare earths (RE). The journal accepts original high-quality original research papers and review articles with inventive content, and complete experimental data. It represents high academic standards and new progress in the RE field. Due to the advantage of abundant RE resources of China, the research on RE develops very actively, and papers on the latest progress in this field emerge every year. It is not only an important resource in which technicians publish and obtain their latest research results on RE, but also an important way of reflecting the updated progress in RE research field. The Journal of Rare Earths covers all research and application of RE rare earths including spectroscopy, luminescence and phosphors, rare earth catalysis, magnetism and magnetic materials, advanced rare earth materials, RE chemistry & hydrometallurgy, RE metallography & pyrometallurgy, RE new materials, RE solid state physics & solid state chemistry, rare earth applications, RE analysis & test, RE geology & ore dressing, etc.