Metal-free Stoner and Mott-Hubbard magnetism in 2D polymers with honeycomb lattice
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arXiv
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| Hauptverfasser: | , |
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| Format: | Preprint |
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2023
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| _version_ | 1866917794652618752 |
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| author | Yu, Hongde Heine, Thomas |
| author_facet | Yu, Hongde Heine, Thomas |
| contents | We computationally demonstrate Stoner-ferromagnetic half-metals and antiferromagnetic Mott-Hubbard insulators in metal-free 2D polymers. Coupling radicaloid (hetero)triangulene monomers via strong covalent bonds preserving the in-plane conjugation of the electronic π system yields 2D crystals with long-range magnetic order and magnetic couplings above the Landauer limit. Dual-site honeycomb lattices produce both flat bands and Dirac cones. Depending on the monomers, electron correlations lead to either a bandgap at the Dirac points for antiferromagnetic Mott insulators, or Stoner ferromagnetism with both spin-polarized Dirac cones and flat bands at the Fermi level. These results pioneer a new type of Stoner and Mott-Hubbard magnetism emerging in the electronic pi system of crystalline conjugated 2D polymers. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2311_09026 |
| institution | arXiv |
| publishDate | 2023 |
| record_format | arxiv |
| spellingShingle | Metal-free Stoner and Mott-Hubbard magnetism in 2D polymers with honeycomb lattice Yu, Hongde Heine, Thomas Strongly Correlated Electrons Materials Science We computationally demonstrate Stoner-ferromagnetic half-metals and antiferromagnetic Mott-Hubbard insulators in metal-free 2D polymers. Coupling radicaloid (hetero)triangulene monomers via strong covalent bonds preserving the in-plane conjugation of the electronic π system yields 2D crystals with long-range magnetic order and magnetic couplings above the Landauer limit. Dual-site honeycomb lattices produce both flat bands and Dirac cones. Depending on the monomers, electron correlations lead to either a bandgap at the Dirac points for antiferromagnetic Mott insulators, or Stoner ferromagnetism with both spin-polarized Dirac cones and flat bands at the Fermi level. These results pioneer a new type of Stoner and Mott-Hubbard magnetism emerging in the electronic pi system of crystalline conjugated 2D polymers. |
| title | Metal-free Stoner and Mott-Hubbard magnetism in 2D polymers with honeycomb lattice |
| topic | Strongly Correlated Electrons Materials Science |
| url | https://arxiv.org/abs/2311.09026 |