Flat bands in ultra-wide gap two-dimensional germanium dioxide
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arXiv
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| Main Authors: | , , , , , |
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| Format: | Preprint |
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2025
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| _version_ | 1866911237190713344 |
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| author | Reis, Rafael Franco Ribeiro Araujo, Gabriel Elyas Gama Kuritza, Danilo Dias, Alexandre Cavalheiro da Rosa, Andreia Luisa Pontes, Renato Borges |
| author_facet | Reis, Rafael Franco Ribeiro Araujo, Gabriel Elyas Gama Kuritza, Danilo Dias, Alexandre Cavalheiro da Rosa, Andreia Luisa Pontes, Renato Borges |
| contents | We employ first principles density-functional theory (DFT) and the Bethe-Salpeter equation (BSE) in the framework of tight-binding based maximally localized Wannier functions (MLWF-TB) model to investigate the electronic and optical properties of free-standing two-dimensional (2D) germanium dioxide phases. All investigated 2D GeO2 polymorphs exhibit ultra-wide band gaps and strong excitonic effects, with flat O-p-derived valence bands tunable under strain. These features allow the design of flat band materials with ultra large electronic gaps in low-dimensional systems, making these materials promising for devices operation at higher voltages and temperatures than conventional semiconductor materials. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2510_24685 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Flat bands in ultra-wide gap two-dimensional germanium dioxide Reis, Rafael Franco Ribeiro Araujo, Gabriel Elyas Gama Kuritza, Danilo Dias, Alexandre Cavalheiro da Rosa, Andreia Luisa Pontes, Renato Borges Materials Science Mesoscale and Nanoscale Physics We employ first principles density-functional theory (DFT) and the Bethe-Salpeter equation (BSE) in the framework of tight-binding based maximally localized Wannier functions (MLWF-TB) model to investigate the electronic and optical properties of free-standing two-dimensional (2D) germanium dioxide phases. All investigated 2D GeO2 polymorphs exhibit ultra-wide band gaps and strong excitonic effects, with flat O-p-derived valence bands tunable under strain. These features allow the design of flat band materials with ultra large electronic gaps in low-dimensional systems, making these materials promising for devices operation at higher voltages and temperatures than conventional semiconductor materials. |
| title | Flat bands in ultra-wide gap two-dimensional germanium dioxide |
| topic | Materials Science Mesoscale and Nanoscale Physics |
| url | https://arxiv.org/abs/2510.24685 |