Revealing weak spin-orbit coupling effects on charge carriers in a pi-conjugated polymer

Malissa, H. and Miller, R. and Baird, D. L. and Jamali, S. and Joshi, G. and Bursch, M. and Grimme, S. and van Tol, J. and Lupton, J. M. and Boehme, C. (2018) Revealing weak spin-orbit coupling effects on charge carriers in a pi-conjugated polymer. PHYSICAL REVIEW B, 97 (16): 161201. ISSN 2469-9950, 2469-9969

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Abstract

We measure electrically detected magnetic resonance on organic light-emitting diodes made of the polymer poly[2-methoxy-5-(2-ethylhexyloxy)-1,4-phenylenevinylene] 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.

Item Type: Article
Uncontrolled Keywords: RADICAL PAIRS; SEMICONDUCTORS;
Subjects: 500 Science > 530 Physics
Divisions: Physics > Institute of Experimental and Applied Physics > Chair Professor Lupton > Group John Lupton
Depositing User: Dr. Gernot Deinzer
Date Deposited: 10 Mar 2020 13:19
Last Modified: 10 Mar 2020 13:19
URI: https://pred.uni-regensburg.de/id/eprint/14737

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