Review of the tight-binding method applicable to the properties of moiré superlattices
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arXiv
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| Autores principales: | , , , , |
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| Formato: | Preprint |
| Publicado: |
2025
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| _version_ | 1866916071150190592 |
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| author | Kuang, Xueheng Escudero, Federico Pantaleón, Pierre A. Guinea, Francisco Zhan, Zhen |
| author_facet | Kuang, Xueheng Escudero, Federico Pantaleón, Pierre A. Guinea, Francisco Zhan, Zhen |
| contents | Moiré superlattices have emerged as a versatile platform for exploring a wide range of ex- otic quantum phenomena. Unlike angstrom-scale materials, the moiré length-scale system contains a large number of atoms, and its electronic structure is significantly modulated by the lattice relaxation. These features pose a huge theoretical challenge. Among the available theoretical approaches, tight-binding (TB) methods are widely employed to predict the electronic, transport, and optical properties of systems such as twisted graphene, twisted transition-metal dichalcogenides (TMDs), and related moiré materials. In this review, we pro- vide a comprehensive overview of atomistic TB Hamiltonians and the numerical techniques commonly used to model graphene-based, TMD-based and hBN-based moiré superlattices. We also discuss the connection between atomistic TB descriptions and effective low-energy continuum models. Two examples of different moiré materials and geometries are provided to emphasize the advantages of the TB methods. This review is intended to serve as a theoretical and practical guide for those seeking to apply TB methods to the study of various properties of moiré superlattices. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2511_04899 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Review of the tight-binding method applicable to the properties of moiré superlattices Kuang, Xueheng Escudero, Federico Pantaleón, Pierre A. Guinea, Francisco Zhan, Zhen Materials Science Moiré superlattices have emerged as a versatile platform for exploring a wide range of ex- otic quantum phenomena. Unlike angstrom-scale materials, the moiré length-scale system contains a large number of atoms, and its electronic structure is significantly modulated by the lattice relaxation. These features pose a huge theoretical challenge. Among the available theoretical approaches, tight-binding (TB) methods are widely employed to predict the electronic, transport, and optical properties of systems such as twisted graphene, twisted transition-metal dichalcogenides (TMDs), and related moiré materials. In this review, we pro- vide a comprehensive overview of atomistic TB Hamiltonians and the numerical techniques commonly used to model graphene-based, TMD-based and hBN-based moiré superlattices. We also discuss the connection between atomistic TB descriptions and effective low-energy continuum models. Two examples of different moiré materials and geometries are provided to emphasize the advantages of the TB methods. This review is intended to serve as a theoretical and practical guide for those seeking to apply TB methods to the study of various properties of moiré superlattices. |
| title | Review of the tight-binding method applicable to the properties of moiré superlattices |
| topic | Materials Science |
| url | https://arxiv.org/abs/2511.04899 |