用于自旋电子学和设备应用的钐基铬化物的机械、磁性和电子特性

IF 1.2 4区材料科学 Q4 MATERIALS SCIENCE, MULTIDISCIPLINARY

Chalcogenide Letters Pub Date : 2024-05-15 DOI:10.15251/cl.2024.215.413

N. A. Noor, F. Nasrullah, I. M. Moussa, S. Mumtaz

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引用次数: 0

摘要

为了理解铬化物 HgSm2S/Se4 的机械、电子和磁特性，我们开展了一项以 DFT 为导向的深入研究。通过使用 PBEsol-GGA 函数和 (mBJ) 势，相应地确定了弹性常数和自旋相关电学特性。通过优化，与非磁性态相比，调频态能释放出足够的能量。通过研究玻恩稳定性标准和形成能，验证了两种尖晶石的结构稳定性。计算得出的泊松比和普氏比表明这两种尖晶石都具有延展性。居里温度的估算证实了室温下铁磁性的存在。此外，由于与 Sm 和 S/Se 相关的成分态之间的耦合，这两种尖晶石中存在的铁磁性也得到了面向自旋的电特性的证实。

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Mechanical, magnetic, and electronic characteristics of Sm-based chalcogenides for spintronics and device applications

To comprehend the mechanical, electronic, and magnetic properties of chalcogenides HgSm2S/Se4, a DFT-oriented thorough investigation is carried out. The elastic constants and spin-dependent electrical characteristics are determined by using the PBEsol-GGA functional and (mBJ) potential correspondingly. Through optimization, a sufficient amount of energy is discharged by the FM state as compared to nonmagnetic states. By investigating Born stability criteria and formation energy, the structural stabilities of both spinels are verified. The calculated Poisson's and Pugh's ratios showed that both spinels are ductile. The estimation of Curie temperature has supported the existence of a ferromagnetic nature at room temperature. Moreover, the presence of ferromagnetism in both spinels is confirmed by spin-oriented electrical characteristics, owing to the coupling between component states associated with Sm and S/Se.

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来源期刊

Chalcogenide Letters MATERIALS SCIENCE, MULTIDISCIPLINARY-PHYSICS, APPLIED

CiteScore

1.80

自引率

20.00%

发文量

审稿时长

1 months

期刊介绍： Chalcogenide Letters (CHL) has the aim to publish rapidly papers in chalcogenide field of research and appears with twelve issues per year. The journal is open to letters, short communications and breakings news inserted as Short Notes, in the field of chalcogenide materials either amorphous or crystalline. Short papers in structure, properties and applications, as well as those covering special properties in nano-structured chalcogenides are admitted.