Scholarlink

<p>A first-principles study of the cubic full-Heusler alloy Sc<sub>2</sub>GaRu is presented to investigate its structural, electronic, mechanical, thermophysical and transport properties. The compound is found to be structurally stable and exhibits a metallic ground state with multiple bands crossing the Fermi level. Elastic analysis confirms mechanical stability and ductile behavior. Thermophysical properties show typical temperature- and pressure-dependent trends consistent with metallic systems. Transport results indicate high electrical conductivity accompanied by a relatively low Seebeck coefficient, reflecting limited thermoelectric efficiency. The study demonstrates that Ga substitution in Sc₂-based Heusler alloys significantly modifies the electronic structure, leading to multi-band metallic behavior. These findings establish Sc<sub>2</sub>GaRu as a stable metallic system relevant for thermal management and high-temperature electronic applications.</p>

错误：搜索内容不能为空，请输入英文关键词
错误：关键词超出字数限制，请精简
高级检索

First-principles study of the structural and functional properties of cubic Sc2GaRu

  • 期刊论文

  • 发表日期：

    2026年5月22日

查看全文
  • Harikishan Sangani,
  • Mitesh B. Solanki,
  • Bhavik Thacker,
  • Vaishnavi Patil,
  • Trilok Akhani

摘要

A first-principles study of the cubic full-Heusler alloy Sc2GaRu is presented to investigate its structural, electronic, mechanical, thermophysical and transport properties. The compound is found to be structurally stable and exhibits a metallic ground state with multiple bands crossing the Fermi level. Elastic analysis confirms mechanical stability and ductile behavior. Thermophysical properties show typical temperature- and pressure-dependent trends consistent with metallic systems. Transport results indicate high electrical conductivity accompanied by a relatively low Seebeck coefficient, reflecting limited thermoelectric efficiency. The study demonstrates that Ga substitution in Sc₂-based Heusler alloys significantly modifies the electronic structure, leading to multi-band metallic behavior. These findings establish Sc2GaRu as a stable metallic system relevant for thermal management and high-temperature electronic applications.