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    Understanding of electronic structure and magnetism of body-centered cubic Co-Mn-Fe alloys for magnetic tunnel junctions

    Tufan Roy1,2,*, Shunsuke Kubota2, Masahito Tsujikawa2, and Masafumi Shirai1,2

    • 1Center for Science and Innovation in Spintronics (CSIS), Core Research Cluster (CRC), Tohoku University, Sendai 980-8577, Japan
    • 2Research Institute of Electrical Communication (RIEC), Tohoku University, Sendai 980-8577, Japan

    • *Contact author: roy.tufan.a3@tohoku.ac.jp

    Phys. Rev. Materials 9, 114406 – Published 12 November, 2025

    DOI: https://doi.org/10.1103/pw88-4llt

    Abstract

    Using first-principles calculations we investigated the electronic structure, magnetic properties, and structural stability of ternary Co-Mn-Fe alloys in their disordered body-centered cubic structures. The robustness of the presence of the spin-polarized Δ1 band at the Fermi level is confirmed for a wide range of chemical compositions, which is beneficial in obtaining a large tunneling magnetoresistance ratio when utilized as the electrode materials for a MgO-based magnetic tunnel junction (MTJ). Very high ferromagnetic transition temperature (>1000K) evaluated on the basis of a mean-field approximation is reported here, which will effectively reduce the thermal fluctuation of the spin moments at the interface with MgO. A remarkably low value of Gilbert damping constant (∼10−4) has been obtained in this study. Furthermore, the Co-Mn-Fe alloys possess a sizably large perpendicular magnetic anisotropy when they are tetragonally distorted. These findings support the viability of the Co-Mn-Fe alloys as a potential candidate for the electrode materials in the MgO-based MTJ.

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