• Open Access

Spin-conserving Boltzmann theory for carriers and excitons in organic semiconductors

Charlotte Bäcker, Linus Thummel, and Carsten Timm
Phys. Rev. Research 4, 023068 – Published 25 April 2022

Abstract

The rise of organic electronics calls for versatile modeling tools. In this context, we develop a semiclassical Boltzmann theory that describes transport and excitonic processes in crystalline organic semiconductors on equal footing. The generation of singlet and triplet excitons out of the ground state, their formation from free electrons and holes, the reverse processes, as well as the fusion and fission of excitons are included. The corresponding scattering integrals respect spin conservation, which requires matrix-valued distribution functions. They also include fermionic and bosonic many-particle effects such as Pauli blocking. We employ a multipole expansion of the distribution functions, where quadrupolar terms turn out to be essential for the triplet excitons. This work provides a basis for the modeling of organic solar cells, in which excitonic processes are crucial for the performance. Moreover, the theory is of general interest for transport and transitions of multiple (quasi-) particle species carrying spin in nonequilibrium systems.

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  • Received 6 August 2021
  • Revised 11 February 2022
  • Accepted 23 March 2022

DOI:https://doi.org/10.1103/PhysRevResearch.4.023068

Published by the American Physical Society under the terms of the Creative Commons Attribution 4.0 International license. Further distribution of this work must maintain attribution to the author(s) and the published article's title, journal citation, and DOI.

Published by the American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

Charlotte Bäcker1, Linus Thummel2,1, and Carsten Timm1,3,*

  • 1Institute of Theoretical Physics, Technische Universität Dresden, 01062 Dresden, Germany
  • 2Imperial College London, South Kensington Campus, London SW7 2AZ, United Kingdom
  • 3Würzburg-Dresden Cluster of Excellence ct.qmat, Technische Universität Dresden, 01062 Dresden, Germany

  • *carsten.timm@tu-dresden.de

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Vol. 4, Iss. 2 — April - June 2022

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