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The Electronic Structure and Optical Properties of Heusler Alloys Mn2 – xFe1 + xAl (x = –0.5, 0, 0.5, 1)

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Abstract

In this paper, we present the calculation results of the electronic structure and optical spectrum and an experimental study of the optical properties of Heusler alloys Mn2 – xFe1 + xAl (x = –0.5, 0, 0.5, 1). An anomalous for metallic systems behavior of the optical conductivity of alloys in the IR region of the spectrum was found: the absence of Drude growth and a high level of interband absorption. This behavior is shown to be determined by the features of the electronic structure: the Fermi level is located in the region of high density of states that is formed by the d states of Mn and Fe.

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Funding

The work was supported by the Russian Science Foundation, project no. 22-22-20109 (https://rscf.ru/project/22-22-20109/), IMP Ural Branch of the Russian Academy of Sciences). M. Vasundhara would like to acknowledge the support offered by Department of K&IM of Indian Institute of Chemical Technology (IICT/Pubs./ 2023/171). A. K. Patra acknowledges the support of SERB-DST, New Delhi, India (Grant no. CRG/2020/003590).

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Correspondence to E. I. Shreder.

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Translated by A. Ivanov

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Shreder, E.I., Lukoyanov, A.V., Mukhachev, R.D. et al. The Electronic Structure and Optical Properties of Heusler Alloys Mn2 – xFe1 + xAl (x = –0.5, 0, 0.5, 1). Phys. Metals Metallogr. 124, 245–251 (2023). https://doi.org/10.1134/S0031918X2370014X

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