Kekulé distortions in graphene on cadmium sulfide
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arXiv
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| Autori principali: | , , , , , |
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| Natura: | Preprint |
| Pubblicazione: |
2024
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| _version_ | 1866916412416589824 |
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| author | Betancur-Ocampo, Yonatan García, Santiago Galván y Nuñez, Samuel Tehuacanero Reyes-Gasga, José Stegmann, Thomas Sánchez-Ochoa, Francisco |
| author_facet | Betancur-Ocampo, Yonatan García, Santiago Galván y Nuñez, Samuel Tehuacanero Reyes-Gasga, José Stegmann, Thomas Sánchez-Ochoa, Francisco |
| contents | The deposition of a two-dimensional material on the surface of a three-dimensional crystal can generate superlattices with electronic properties modified through the proximity spin-orbit effect. In this study, we found that Kekulé graphene superlattices are obtained by placing graphene on Cd-terminated (001)-(1$\times$1) cadmium sulfide (CdS) surface. From an effective model of Kekulé superlattices, which is corroborated by Density Functional Theory (DFT) calculations, we identified that the puckered surfqace of CdS modifies the on-site energies (staggered potential) and C-C bonds, giving rise to two possible $\sqrt{3} \times \sqrt{3}$ hexagonal superlattices, which are known as Kekulé-O graphene and Kekulé-Y with a quadratic band crossing point. Both Kekulé superlattices present spin-orbit coupling due to the interaction of graphene with the CdS surface. To guide the experimental realization of Kekulé superlattices based on graphene/CdS heterostructures, we simulate electron diffraction patterns, as well as images from High-Resolution Transmission Electron Microscopy (HRTEM), and Scanning Transmission Electron Microscopy in the mode of High Angle Annular Dark Field (STEM-HAADF). |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2409_18322 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Kekulé distortions in graphene on cadmium sulfide Betancur-Ocampo, Yonatan García, Santiago Galván y Nuñez, Samuel Tehuacanero Reyes-Gasga, José Stegmann, Thomas Sánchez-Ochoa, Francisco Materials Science Mesoscale and Nanoscale Physics The deposition of a two-dimensional material on the surface of a three-dimensional crystal can generate superlattices with electronic properties modified through the proximity spin-orbit effect. In this study, we found that Kekulé graphene superlattices are obtained by placing graphene on Cd-terminated (001)-(1$\times$1) cadmium sulfide (CdS) surface. From an effective model of Kekulé superlattices, which is corroborated by Density Functional Theory (DFT) calculations, we identified that the puckered surfqace of CdS modifies the on-site energies (staggered potential) and C-C bonds, giving rise to two possible $\sqrt{3} \times \sqrt{3}$ hexagonal superlattices, which are known as Kekulé-O graphene and Kekulé-Y with a quadratic band crossing point. Both Kekulé superlattices present spin-orbit coupling due to the interaction of graphene with the CdS surface. To guide the experimental realization of Kekulé superlattices based on graphene/CdS heterostructures, we simulate electron diffraction patterns, as well as images from High-Resolution Transmission Electron Microscopy (HRTEM), and Scanning Transmission Electron Microscopy in the mode of High Angle Annular Dark Field (STEM-HAADF). |
| title | Kekulé distortions in graphene on cadmium sulfide |
| topic | Materials Science Mesoscale and Nanoscale Physics |
| url | https://arxiv.org/abs/2409.18322 |