First-principles study of KVTe half-Heusler alloy for spintronic and thermoelectric applications

IF 2.1 4区物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Solid State Communications Pub Date : 2025-02-21 DOI:10.1016/j.ssc.2025.115878

B. Syad , A. Samih , A. Ben Zoubir , M. Es-Semyhy , R. El Fdil , E. Salmani , Z. Fadil , Fohad Mabood Husain , Chaitany Jayprakash Raorane

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Abstract

The present study undertook an examination of the diverse characteristics of the Half-Heusler KVTe alloy, encompassing its electronic, elastic, thermoelectric, mechanical, magnetic, and structural characteristics. In this investigation, the Density Functional Theory (DFT) was utilized, employing the GGA-PBE approximation. The findings of the analysis indicated that KVTe exhibited the greatest stability in the ferromagnetic (FM) configuration. An analysis of the density of states indicates that KVTe exhibits half-metallic behavior, suggesting its potential utility in spintronic applications. Moreover, a detailed examination of the elastic characteristics and mechanical response of the alloy indicates that KVTe exhibits robust mechanical stability. Finally, the results indicated that this material could be utilized in heat dissipation devices due to its promising thermoelectric properties with low Seebeck coefficient and high thermal conductivity.

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来源期刊

Solid State Communications 物理-物理：凝聚态物理

CiteScore

3.40

自引率

4.80%

发文量

287

审稿时长

51 days

期刊介绍： Solid State Communications is an international medium for the publication of short communications and original research articles on significant developments in condensed matter science, giving scientists immediate access to important, recently completed work. The journal publishes original experimental and theoretical research on the physical and chemical properties of solids and other condensed systems and also on their preparation. The submission of manuscripts reporting research on the basic physics of materials science and devices, as well as of state-of-the-art microstructures and nanostructures, is encouraged. A coherent quantitative treatment emphasizing new physics is expected rather than a simple accumulation of experimental data. Consistent with these aims, the short communications should be kept concise and short, usually not longer than six printed pages. The number of figures and tables should also be kept to a minimum. Solid State Communications now also welcomes original research articles without length restrictions. The Fast-Track section of Solid State Communications is the venue for very rapid publication of short communications on significant developments in condensed matter science. The goal is to offer the broad condensed matter community quick and immediate access to publish recently completed papers in research areas that are rapidly evolving and in which there are developments with great potential impact.