Design of organic crystals with lone pairs to study spin resonance and spin-lattice interactions
Abstract Lone pairs are widely prevalent in various types of molecules and have a significant impact on the band structure, carrier transport, and dielectric response, which are the key factors for exploring the underlying mechanism of phenomena in opto-spintronics. In this work, nitrogen substituti...
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| Format: | Article |
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Nature Portfolio
2025-01-01
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| Series: | NPG Asia Materials |
| Online Access: | https://doi.org/10.1038/s41427-024-00583-3 |
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| author | Shilin Li Xiangqian Lu Wei Qin |
| author_facet | Shilin Li Xiangqian Lu Wei Qin |
| author_sort | Shilin Li |
| collection | DOAJ |
| description | Abstract Lone pairs are widely prevalent in various types of molecules and have a significant impact on the band structure, carrier transport, and dielectric response, which are the key factors for exploring the underlying mechanism of phenomena in opto-spintronics. In this work, nitrogen substitutions with nonequivalent hybridization are adopted to obtain different types of organic charge transfer crystals, where lone pairs are generated to weaken the interactions between donors and acceptors, resulting in a blueshift in photoluminescence and a weaker electron-lattice coupling. Moreover, lone pairs could further strengthen the ability to transfer energy and spin angular momentum to the lattice vibration to enhance spin resonance. Additionally, due to the effect of lone pairs, the spin density inside the crystals is redistributed to tune the transition between the singlet and triplet states. Overall, crystals with lone pairs demonstrate a more diverse set of magnetic, optical, and spin-related properties. |
| format | Article |
| id | doaj-art-1f3c298fd1f74304b8c2283b9e735aa6 |
| institution | Kabale University |
| issn | 1884-4057 |
| language | English |
| publishDate | 2025-01-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | NPG Asia Materials |
| spelling | doaj-art-1f3c298fd1f74304b8c2283b9e735aa62025-01-19T12:29:06ZengNature PortfolioNPG Asia Materials1884-40572025-01-011711810.1038/s41427-024-00583-3Design of organic crystals with lone pairs to study spin resonance and spin-lattice interactionsShilin Li0Xiangqian Lu1Wei Qin2School of Physics, State Key Laboratory of Crystal Materials, Shandong UniversitySchool of Physics, State Key Laboratory of Crystal Materials, Shandong UniversitySchool of Physics, State Key Laboratory of Crystal Materials, Shandong UniversityAbstract Lone pairs are widely prevalent in various types of molecules and have a significant impact on the band structure, carrier transport, and dielectric response, which are the key factors for exploring the underlying mechanism of phenomena in opto-spintronics. In this work, nitrogen substitutions with nonequivalent hybridization are adopted to obtain different types of organic charge transfer crystals, where lone pairs are generated to weaken the interactions between donors and acceptors, resulting in a blueshift in photoluminescence and a weaker electron-lattice coupling. Moreover, lone pairs could further strengthen the ability to transfer energy and spin angular momentum to the lattice vibration to enhance spin resonance. Additionally, due to the effect of lone pairs, the spin density inside the crystals is redistributed to tune the transition between the singlet and triplet states. Overall, crystals with lone pairs demonstrate a more diverse set of magnetic, optical, and spin-related properties.https://doi.org/10.1038/s41427-024-00583-3 |
| spellingShingle | Shilin Li Xiangqian Lu Wei Qin Design of organic crystals with lone pairs to study spin resonance and spin-lattice interactions NPG Asia Materials |
| title | Design of organic crystals with lone pairs to study spin resonance and spin-lattice interactions |
| title_full | Design of organic crystals with lone pairs to study spin resonance and spin-lattice interactions |
| title_fullStr | Design of organic crystals with lone pairs to study spin resonance and spin-lattice interactions |
| title_full_unstemmed | Design of organic crystals with lone pairs to study spin resonance and spin-lattice interactions |
| title_short | Design of organic crystals with lone pairs to study spin resonance and spin-lattice interactions |
| title_sort | design of organic crystals with lone pairs to study spin resonance and spin lattice interactions |
| url | https://doi.org/10.1038/s41427-024-00583-3 |
| work_keys_str_mv | AT shilinli designoforganiccrystalswithlonepairstostudyspinresonanceandspinlatticeinteractions AT xiangqianlu designoforganiccrystalswithlonepairstostudyspinresonanceandspinlatticeinteractions AT weiqin designoforganiccrystalswithlonepairstostudyspinresonanceandspinlatticeinteractions |