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

被引：1

作者：

Syad, B. ^{[1
]}

Samih, A. ^{[1
]}

Ben Zoubir, A. ^{[1
]}

Es-Semyhy, M. ^{[1
]}

El Fdil, R. ^{[1
]}

Salmani, E. ^{[1
]}

Fadil, Z. ^{[1
]}

Husain, Fohad Mabood ^{[2
]}

Raorane, Chaitany Jayprakash ^{[3
]}

机构：

[1] Mohammed V Univ Rabat, Fac Sci, Lab Matiere Condensee & Sci Interdisciplinaires La, URL CNRST, POB 1014, Rabat, Morocco

[2] King Saud Univ, Coll Food & Agr Sci, Dept Food Sci & Nutr, Riyadh 11451, Saudi Arabia

[3] Yeungnam Univ, Sch Chem Engn, Gyongsan 38541, South Korea

来源：

SOLID STATE COMMUNICATIONS | 2025年 / 399卷

基金：

新加坡国家研究基金会;

关键词：

GGA-PBE; Magnetic properties; Electronic properties; Elastic properties; Thermoelectric; Spintronic; Half-Heusler; ELECTRONIC-STRUCTURE; MECHANICAL-PROPERTIES; MAGNETIC-PROPERTIES; ELASTIC-CONSTANTS; RECENT PROGRESS; FIGURE; MERIT;

D O I：

10.1016/j.ssc.2025.115878

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

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.

引用

页数：8

共 69 条

[1] Structural, electronic, elastic, thermoelectric and thermodynamic properties of the NbMSb half heusler (M=Fe, Ru, Os) compounds with first principle calculations [J].