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Abstract <p>The development of spintronics, a key field of modern materials science, requires the search for new materials and their combinations for the effective control of spin transport. We report a theoretical study of new magnetic heterostructures based on the Co<sub>2</sub>FeGe<sub>1/2</sub>Ga<sub>1/2</sub> half-metallic Heusler compound (CFGG) and monolayers of tungsten dichalcogenides W<i>X</i><sub>2</sub> (<i>X</i>&#xa0;=&#xa0;S, Se, Te). Structural, magnetic, and electronic properties of the W<i>X</i><sub>2</sub>/CFGG interface are analyzed by the DFT method for both Co- and FeGeGa-terminations of the substrate. The obtained results demonstrate stable ferromagnetism in the CFGG substrate, high level of spin polarization, and the increase of local magnetic moments at the interface. For example, the obtained tunneling magnetoresistance values are as high as 112% and 157% for Co-terminated WS<sub>2</sub>/CFGG and WSe<sub>2</sub>/CFGG, respectively. These results indicate that W<i>X</i><sub>2</sub>/CFGG based magnetic heterostructures are highly promising as a base for spin filters and other spin devices.</p>

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Theoretical Study of New Magnetic Heterostructures WX2/CFGG (X = S, Se, Te)

  • 期刊论文

  • 发表日期：

    2025年8月29日

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  • K. V. Larionov,
  • E. A. Mochalova,
  • J. J. Pais Pereda,
  • P. B. Sorokin

摘要

Abstract

The development of spintronics, a key field of modern materials science, requires the search for new materials and their combinations for the effective control of spin transport. We report a theoretical study of new magnetic heterostructures based on the Co2FeGe1/2Ga1/2 half-metallic Heusler compound (CFGG) and monolayers of tungsten dichalcogenides WX2 (X = S, Se, Te). Structural, magnetic, and electronic properties of the WX2/CFGG interface are analyzed by the DFT method for both Co- and FeGeGa-terminations of the substrate. The obtained results demonstrate stable ferromagnetism in the CFGG substrate, high level of spin polarization, and the increase of local magnetic moments at the interface. For example, the obtained tunneling magnetoresistance values are as high as 112% and 157% for Co-terminated WS2/CFGG and WSe2/CFGG, respectively. These results indicate that WX2/CFGG based magnetic heterostructures are highly promising as a base for spin filters and other spin devices.