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Abstract <p>The frequency dependence of the real ε<sub>1</sub>(ω) and imaginary ε<sub>2</sub>(ω) parts of the complex dielectric permittivity of Co<sub>2</sub>NbAl and Co<sub>2</sub>VAl Heusler alloys has been investigated in the energy range of 0.15–5 eV. It was established that interband electron transitions play a dominant role in the formation of optical properties of the alloys. The research results are discussed based on new calculations of the electronic structure, which showed that both Co<sub>2</sub>NbAl and Co<sub>2</sub>VAl are half-metallic ferromagnets with full spin polarization as obtained from meta-GGA calculations. The half-metallicity of the alloys is shown up in their optical properties as a low free electron contribution (a decrease in the Drude-type absorption) and the intensive interband absorption in the IR spectral area, which indicates the presence of low-energy gaps in the electronic structure of the alloys.</p>

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Half-Metallicity in the Electronic Structure and Optical Properties of Heusler Alloys Co2NbAl and Co2VAl

  • 期刊论文

  • 发表日期：

    2025年12月1日

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  • E. I. Shreder,
  • E. D. Chernov,
  • A. V. Lukoyanov,
  • P. S. Korenistov,
  • Barnabha Bandyopadhyay,
  • Aftab Alam,
  • K. G. Suresh

摘要

Abstract

The frequency dependence of the real ε1(ω) and imaginary ε2(ω) parts of the complex dielectric permittivity of Co2NbAl and Co2VAl Heusler alloys has been investigated in the energy range of 0.15–5 eV. It was established that interband electron transitions play a dominant role in the formation of optical properties of the alloys. The research results are discussed based on new calculations of the electronic structure, which showed that both Co2NbAl and Co2VAl are half-metallic ferromagnets with full spin polarization as obtained from meta-GGA calculations. The half-metallicity of the alloys is shown up in their optical properties as a low free electron contribution (a decrease in the Drude-type absorption) and the intensive interband absorption in the IR spectral area, which indicates the presence of low-energy gaps in the electronic structure of the alloys.