Revealing weak spin-orbit coupling effects on charge carriers in a π -conjugated polymer
| Autor: | Richards Miller, J. van Tol, Gajadhar Joshi, Stefan Grimme, Markus Bursch, Shirin Jamali, Christoph Boehme, John M. Lupton, Hans Malissa, Douglas Baird |
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| Rok vydání: | 2018 |
| Předmět: |
Condensed Matter - Materials Science
Materials science Condensed Matter - Mesoscale and Nanoscale Physics Spins Resonance 02 engineering and technology Electron Spin–orbit interaction 021001 nanoscience & nanotechnology 01 natural sciences Molecular physics 3. Good health Magnetic field 0103 physical sciences Molecular orbital 010306 general physics 0210 nano-technology Hyperfine structure Doppler broadening |
| Zdroj: | Physical Review B. 97 |
| ISSN: | 2469-9969 2469-9950 |
| 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: | OpenAIRE |
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