Genesis of magnetism in graphene/MoS2 van der Waals heterostructures via interface engineering using Cr-adsorption
| Autor: | Timothy A. Hackett, Sarvesh Kumar, Manish K. Kashyap, Ali H. Reshak, Renu Singla |
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| Rok vydání: | 2021 |
| Předmět: |
Materials science
Magnetic moment Condensed matter physics Graphene Band gap Magnetism Mechanical Engineering Metals and Alloys Heterojunction 02 engineering and technology 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences 0104 chemical sciences law.invention Adsorption Mechanics of Materials law Atom Materials Chemistry 0210 nano-technology Layer (electronics) |
| Zdroj: | Journal of Alloys and Compounds. 859:157776 |
| ISSN: | 0925-8388 |
| Popis: | Graphene/MoS2 heterostructure (G/MS-H) has distinctive and superlative electronic properties as it contains features of both graphene and MoS2. Our first-principles calculations reveal this heterostructure has a little bandgap (40 meV) and zero magnetic moment in the pristine form. In the present work, we have attempted to induce magnetism in the resultant heterostructure by adsorbing Cr atom at (i) Top (G-Top) (ii) Hollow (G-Hollow) configurations in the graphene layer and (iii) Top (S-Top) and (iv) Hollow (S-Hollow) in the MoS2 layer. However, only G-Top and S-Hollow are energetically favorable amid these configurations. Our results demonstrate that Cr-adsorption persuades the significant magnetic moment. Both the stable configurations (G-Top and S-Hollow) transpire metallicity with a Dirac point shift in the valence band. The magnetism originates from the interactions between Cr-3d states with C-2p and S-3p states. These results summarize that the resultant adsorbed heterostructure may serve as a phenomenal breakthrough for nanomagnetism. |
| Databáze: | OpenAIRE |
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