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September 10, 2025MetalsOpen Access

Structural, Elastic, Electronic, Magnetic, and Half-Metallic Properties of Full-Heusler Compounds Fe2LiZ (Z = Ge and Si): A First-Principles Study

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Authors

YWYufeng WenYYYanlin YuZLZhangli Lai

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Overview

First-principles analysis reveals half-metallic features and elastic properties in full-Heusler compounds, suggesting potential for spintronic applications.

Key Points

  • Fe2LiSi and Fe2LiGe compounds exhibit cubic XA structures, showing significant mechanical stability and elastic anisotropy.
  • Fe2LiSi displays a higher half-metallic gap of 0.141 eV compared to 0.179 eV for Fe2LiGe, indicating better electronic properties.
  • Both compounds achieve 100% spin-polarization ratio and follow the generalized Slater–Pauling rule regarding magnetic moments.
  • These findings underline the potential of full-Heusler compounds in advanced spintronic technologies and applications.

Cite This Study

Wen et al. (2025) studied this question.

synapsesocial.com/papers/68c1ac0154b1d3bfb60e450dhttps://doi.org/10.3390/met15070808
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