First-principles Study on Ferromagnetism in Two-dimensional Fe3GeTe2

ORAL

Abstract

Identifying new magnetic materials is key to better device performance and new device paradigm. Recently, the discoveries of two-dimensional (2D) ferromagnetic (FM) insulators have drawn a lot of attention to the searching of 2D magnetic materials. Here, by density functional theory calculation with different functionals as well as effective Hubbard U parameters, we symmetrically studied layered metallic magnet Fe3GeTe2 (FGT) from bulk to monolayer. Generally, LDA functional can give a correct description of the interlayer FM coupling, which is consistent with our experimental results. We simulated the ionic gate by electron doping in tri-layer FGT, explaining the mechanism of Tc dispersion as a function of doping level revealed in experiments, by applying Stoner model. Moreover, by obtaining the intralayer and interlayer exchange parameters, we found that the itinerant ferromagnetism persists in FGT down to monolayer with an out-of-plane magnetocrystalline anisotropy. Finally, the calculated Tc by mean field calculation is consistent with the experimental value.

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Presenters

  • Jingzhao Zhang

    The Chinese University of Hong Kong, Physics, The Chinese University of Hong Kong, Physics, The Chinese University of HongKong

Authors

  • Jingzhao Zhang

    The Chinese University of Hong Kong, Physics, The Chinese University of Hong Kong, Physics, The Chinese University of HongKong

  • Jing Wang

    State Key Laboratory of Surface Physics and Department of Physics, Fudan University, Fudan University

  • Yuanbo Zhang

    Fudan University, State Key Laboratory of Surface Physics and Department of Physics, Fudan University, Institute for Nanoelectronic Devices and Quantum Computing, Fudan University, Shanghai 200433, China, Dept. of Physics, Fudan University, Physics Department, Fudan University

  • Junyi Zhu

    The Chinese University of Hong Kong, Physics, The Chinese University of Hong Kong, Physics, Chinese Univsity of Hong Kong, Physics, The Chinese University of HongKong