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| Main Authors: | , |
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| Format: | Preprint |
| Published: |
2021
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| Subjects: | |
| Online Access: | https://arxiv.org/abs/2107.08260 |
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| _version_ | 1866909508786192384 |
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| author | Gao, Min Hu, Jun |
| author_facet | Gao, Min Hu, Jun |
| contents | Decorating two-dimensional 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 the if the Co coverage is larger than 1/3 ML, 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 <= 1/3 ML, the Co adatom is spin polarized with spin moment varying from 1.1 ~ 1.4 μB. The d(xz/yz) and d(xy/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 -2 eV to 1 eV with respect to 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. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2107_08260 |
| institution | arXiv |
| publishDate | 2021 |
| record_format | arxiv |
| spellingShingle | Coverage-dependent magnetic and electronic properties of graphene with Co adatoms Gao, Min Hu, Jun Materials Science Decorating two-dimensional 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 the if the Co coverage is larger than 1/3 ML, 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 <= 1/3 ML, the Co adatom is spin polarized with spin moment varying from 1.1 ~ 1.4 μB. The d(xz/yz) and d(xy/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 -2 eV to 1 eV with respect to 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. |
| title | Coverage-dependent magnetic and electronic properties of graphene with Co adatoms |
| topic | Materials Science |
| url | https://arxiv.org/abs/2107.08260 |