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Ferromagnetism in Semiconducting Janus NbSe Hydride Monolayer

Abstract

Simultaneous control of charge and spin of electrons within a two-dimensional (2D) space is ideal for nanoscale spintronic applications, but a 2D material with both intrinsic magnetism and semiconducting nature has been rare. Here, we report a first-principles design of a semiconducting tetragonal NbSeH2 monolayer with ferromagnetic order. The monolayer is made up by metal-ligand bonds on one-surface and hydrogen bridge bonds on the other surface, which forms a built-in electric polarization that opens a bandgap of 0.94 eV in the otherwise metallic system. As such, charge doping via an applied gate voltage not only enhances ferromagnetic coupling between local moments but also turns the monolayer into a half-metal that enables completely spin-polarized current. Monte Carlo simulations estimate a Curie temperature of ~101 K at a hole-carrier density of 4.70×1013 cm-2. Moreover, the monolayer shows high thermal and dynamical stability and can be extended to a large group of transition metals and chalcogens, pointing to a new ‘family’ of Janus 2D materials for versatile applications.

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Publication details

The article was received on 20 Jun 2018, accepted on 07 Aug 2018 and first published on 09 Aug 2018


Article type: Paper
DOI: 10.1039/C8TC03016B
Citation: J. Mater. Chem. C, 2018, Accepted Manuscript
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    Ferromagnetism in Semiconducting Janus NbSe Hydride Monolayer

    X. Zhou, X. Sun, Z. Zhang and W. Guo, J. Mater. Chem. C, 2018, Accepted Manuscript , DOI: 10.1039/C8TC03016B

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