ArticleNano letters2024
Beyond Spin Models in Orbitally Degenerate Open-Shell Nanographenes.
Article in Nano letters, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.
What it found
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Who cites it
4 citing papers in PubMed.
- Metal-Free Ferromagnetism in Triangulene Two-Dimensional Frameworks.Journal of the American Chemical Society · 2026Article
- Interplay of Superconductivity, Ferromagnetism, and Half-Metallicity in Gated Single-Layer g-CThe journal of physical chemistry letters · 2025Article
- Physics and Chemistry of Two-Dimensional Triangulene-Based Lattices.Accounts of chemical research · 2025Article
- Prediction of metal-free Stoner and Mott-Hubbard magnetism in triangulene-based two-dimensional polymers.Science advances · 2024Article
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Authors and funding
6 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The study of open-shell nanographenes has relied on a paradigm where spins are the only low-energy degrees of freedom. Here we show that some nanographenes can host low-energy excitations that include strongly coupled spin and orbital degrees of freedom. The key ingredient is the existence of orbital degeneracy, as a consequence of leaving the benzenoid/half-filling scenario. We analyze the case of nitrogen-doped triangulenes, using both density-functional theory and Hubbard model multiconfigurational and random-phase approximation calculations. We find a rich interplay between orbital and spin degrees of freedom that confirms the need to go beyond the spin-only paradigm, opening a new avenue in this field of research.
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