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Updated: Jul 2, 2025
Sputter Growth and Characterization of Metamagnetic B2-ordered FeRh Epilayers
Published on: October 5, 2013
Prediction of intrinsic room-temperature ferromagnetism in two-dimensional CrInX2 (X = S, Se, Te) monolayers
Yunfei Zhang1, Shuo Zhang1, Minghao Jia2
1School of Materials Science and Engineering, Hebei University of Technology, Tianjin 300132, China. jgtao@hebut.edu.cn.
Abstract:
Herein, using density functional theory, novel two-dimensional (2D) CrInX2 (X = S, Se, Te) structures are predicted to be practical ferromagnetic (FM) semiconductors. Phonon vibrations and molecular dynamics simulations verified their structural and thermodynamic stability. Sizable fully spin-polarized band gaps of 1.03 and 0.69 eV are found for CrInS2 and CrInSe2, while CrInTe2 exhibits half-metallic band nature (at 0 K with a perfect lattice). The high magnetic anisotropy energies are responsible for their long-range spin polarization. The Curie temperatures (Tc) are estimated to be 347, 397 and 447 K for CrInS2, CrInSe2 and CrInTe2, respectively, all well above the room-temperature. The high Tc originates from unusual FM direct exchange, the efficient super-exchange coupling between neighboring Cr eg-orbitals with zero virtual exchange gaps and the presence of dual Cr-X-Cr super-exchange channels. Our systematic study of the CrInX2 monolayer suggests that it could be a promising material for spintronics applications.
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