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arXiv · 1712.08985

Half-metallicity in honeycomb-kagome-lattice Mg3C2 monolayer with carrier doping

Hongzhe Pan·Yin Han·Jianfu Li·Hongyu Zhang·Youwei Du·Nujiang Tang
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Abstract

To obtain high-performance spintronic devices with high integration density, two-dimensional (2D) half-metallic materials are eagerly pursued all along. Here, we propose a stable 2D material with a honeycomb-kagome lattice, i.e., the Mg3C2 monolayer, based on first-principles calculations. This monolayer is an anti-ferromagnetic (AFM) semiconductor at its ground state. We further demonstrate that a transition from AFM semiconductor to ferromagnetic half-metal in this 2D material can be induced by carrier (electron or hole) doping. This magnetic transition can be understood by the Stoner criterion. In addition, the half-metallicity arises from the 2pz orbitals of the carbon (C) atoms for the electron-doped system, but from the C 2px and 2py orbitals for the case of hole doping. Our findings highlight a new promising material with controllable magnetic and electronic properties toward 2D spintronic applications.

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Hongzhe Pan, Yin Han, Jianfu Li, Hongyu Zhang, Youwei Du, Nujiang Tang. 2017-12-25. Half-metallicity in honeycomb-kagome-lattice Mg3C2 monolayer with carrier doping. https://doi.org/10.1039/c8cp01727a

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