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Issue 7, 2019
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Tunable electronic structure and magnetic anisotropy of two dimensional van der Waals GeS/FeCl2 multiferroic heterostructures

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Abstract

Two dimensional (2D) van der Waals (vdW) multiferroic heterostructures have potential applications in novel low-dimensional spintronic devices. However, few results on 2D vdW multiferroic heterostructures are reported. Here, the electronic structure and magnetic anisotropy of 2D vdW multiferroic GeS/FeCl2 heterostructures are investigated systematically by first-principles calculations. Spin splitting appears at the conduction band minimum (CBM) and valence band maximum (VBM) of GeS owing to the coupling between S pz, Ge py and Cl px, Fe dxz states in the spin-down channel. The spin splitting is 40 meV at the CBM and 15 meV at the VBM, which can be tailored by biaxial strain. Moreover, at a compressive strain of −2% and a tensile strain of 4%, the spin splitting direction can be inversed at the CBM and VBM. Additionally, the tensile strain makes the system transit from an Ohmic contact to a Schottky one. The vertical strain can alter the interaction between the GeS and FeCl2 monolayers by modulating the interlayer distance. The spatial spin polarization suggests spin-polarized states, which are important in spintronic devices. The compressive biaxial strain increases the magnetic anisotropy energy of the heterostructures, where in-plane magnetic anisotropy appears at different biaxial strains. Their tunable electronic structure and magnetic anisotropy suggest that the 2D multiferroic GeS/FeCl2 vdW heterostructures have potential applications in spintronic devices.

Graphical abstract: Tunable electronic structure and magnetic anisotropy of two dimensional van der Waals GeS/FeCl2 multiferroic heterostructures

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Publication details

The article was received on 17 Dec 2018, accepted on 20 Jan 2019 and first published on 21 Jan 2019


Article type: Paper
DOI: 10.1039/C8TC06375C
Citation: J. Mater. Chem. C, 2019,7, 2049-2058

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    Tunable electronic structure and magnetic anisotropy of two dimensional van der Waals GeS/FeCl2 multiferroic heterostructures

    Y. Zhu, X. Wang and W. Mi, J. Mater. Chem. C, 2019, 7, 2049
    DOI: 10.1039/C8TC06375C

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