Revealing weak spin-orbit coupling effects on charge carriers in a $\pi$-conjugated polymer
| Autor: | Malissa, H., Miller, R., Baird, D. L., Jamali, S., Joshi, G., Bursch, M., Grimme, S., van Tol, J., Lupton, J. M., Boehme, C. |
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| Rok vydání: | 2018 |
| Předmět: | |
| Zdroj: | Phys. Rev. B 97, 161201 (2018) |
| Druh dokumentu: | Working Paper |
| DOI: | 10.1103/PhysRevB.97.161201 |
| Popis: | We measure electrically detected magnetic resonance (EDMR) on organic light-emitting diodes (OLEDs) made of the polymer poly[2-methoxy-5-(2-ethylhexyloxy)-1,4-phenylenevinylene] (MEH-PPV) at room temperature and high magnetic fields, where spectral broadening of the resonance due to spin-orbit coupling (SOC) exceeds that due to the local hyperfine fields. Density-functional-theory calculations on an open-shell model of the material reveal g-tensors of charge-carrier spins in the lowest unoccupied (electron) and highest occupied (hole) molecular orbitals. These tensors are used for simulations of magnetic resonance line-shapes. Besides providing the first quantification and direct observation of SOC effects on charge-carrier states in these weakly SO-coupled hydrocarbons, this procedure demonstrates that spin-related phenomena in these materials are fundamentally monomolecular in nature. Comment: 6 pages, 4 figures |
| Databáze: | arXiv |
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