DataVXChalcogenide LettersPaper
journal article·2024-05-15Open access

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

Department of Physics, RIPHAH International University, Campus Lahore, Pakistan, N. A. Noor, F. Nasrullah, Department of Physics, RIPHAH International University, Campus Lahore, Pakistan, Ihab M. Moussa, Department of Botany and Microbiology, College of Science, King Saud University, P.O. Box 2455, Riyadh, 11451, Saudi Arabia, S. Mumtaz, Electrical and Biological Physics, Kwangwoon University, Seoul, 01897, South Korea

Chalcogenide Letters· Volume 21· Issue 5
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Abstract

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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Research context

OpenAlex topics: Heusler alloys: electronic and magnetic properties · Magnetic and transport properties of perovskites and related materials · Chalcogenide Semiconductor Thin Films

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