A novel 2D intrinsic metal-free ferromagnetic semiconductor Si 3 C 8 monolayer

Metal-free magnets, a special kind of ferromagnetic (FM) material, have evolved into an important branch of magnetic materials for spintronic applications. We herein propose a silicon carbide (Si C ) monolayer and investigate its geometric, electronic, and magnetic properties by using first-principl...

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Bibliographic Details
Published in:Physical chemistry chemical physics : PCCP 2023-12
Main Authors: Luo, Yangtong, Li, Chen, Zhong, Chengyong, Li, Shuo
Format: Article
Language:English
Online Access:Get full text
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Summary:Metal-free magnets, a special kind of ferromagnetic (FM) material, have evolved into an important branch of magnetic materials for spintronic applications. We herein propose a silicon carbide (Si C ) monolayer and investigate its geometric, electronic, and magnetic properties by using first-principles calculations. The thermal and dynamical stability of the Si C monolayer was confirmed by molecular dynamics and phonon dispersion simulations. Our results show that the Si C monolayer is a FM semiconductor with a band gap of 1.76 eV in the spin-down channel and a Curie temperature of 22 K. We demonstrate that the intrinsic magnetism of the Si C monolayer is derived from p orbitals of C atoms superexchange interactions. Furthermore, the half-metallic state in the FM Si C monolayer can be induced by electron doping. Our work not only illustrates that carrier doping could manipulate the magnetic states of the FM Si C monolayer but also provides an idea to design two-dimensional metal-free magnetic materials for spintronic applications.
ISSN:1463-9084