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Coverage-dependent magnetic and electronic properties of graphene with Co adatoms

Min Gao and Jun Hu
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Min Gao: School of Physical Science and Technology, Soochow University, Suzhou 215006, P. R. China†Jiangsu Key Laboratory of Thin Films, Soochow University, Suzhou 215006, P. R. China
Jun Hu: School of Physical Science and Technology, Soochow University, Suzhou 215006, P. R. China†Jiangsu Key Laboratory of Thin Films, Soochow University, Suzhou 215006, P. R. China‡School of Physical Science and Technology, Ningbo University, Ningbo 315211, P. R. China

International Journal of Modern Physics C (IJMPC), 2021, vol. 32, issue 12, 1-11

Abstract: Decorating two-dimensional (2D) materials with transition-metal adatoms is an effective way to bring about new physical properties that are intriguing for applications in electronics and spintronics devices. Here, we systematically studied the coverage-dependent magnetic and electronic properties of graphene decorated by Co adatoms, based on first-principles calculations. We found that if the Co coverage is larger than 1/3ML, the Co atoms will aggregate to form a Co monolayer and then a van der Waals bilayer system between the Co monolayer and graphene forms. When the Co coverage is ≤1∕3ML, the Co adatom is spin-polarized with spin moment varying from 1.1 to 1.4μB. The dxz∕yz and dxy∕x2−y2 orbitals of Co hybridize significantly with the π bands of graphene, which generates a series of new bands in the energy range from −2eV to 1eV with respect to the Dirac point of graphene. In most cases, the new bands near the Fermi level lead to topological states characterized by the quantum anomalous Hall effect.

Keywords: Graphene; adatom; coverage-dependent; band structure; topological state (search for similar items in EconPapers)
Date: 2021
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DOI: 10.1142/S0129183121501655

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