materialscloud:2020.0041/v1
Published April 27, 2020 | Version v1
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Hund excitations and the efficiency of Mott solar cells

Creators

  • 1. Department of Physics, University of Fribourg, 1700 Fribourg, Switzerland
  • 2. Materials Theory, ETH Zurich, Wolfgang-Pauli-Strasse 27, 8093 Zürich, Switzerland

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Description

We study the dynamics of photoinduced charge carriers in semirealistic models of LaVO3 and YTiO3 polar heterostructures. It is shown that two types of impact ionization processes contribute to the carrier multiplication in these strongly correlated multiorbital systems: The first mechanism involves local spin state transitions, while the second mechanism involves the scattering of high-kinetic-energy carriers. Both processes act on the 10-fs timescale and play an important role in the harvesting of high-energy photons in solar cell applications. As a consequence, the optimal gap size for Mott solar cells is substantially smaller than for semiconductor devices.

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References

Journal reference (Paper in which the results are described)
F. Petocchi, S. Beck, C. Ederer, P. Werner, Phys. Rev. B 100, 075147 (2019), doi: 10.1103/PhysRevB.100.075147

Software (Maximally-localised Wannier functions software)
A. A. Mostofi, J. R. Yates, Y.-S. Lee, I. Souza, D. Vanderbilt, and N. Marzari, Computer Physics Communications, 178, 685 (2008).

Software (Exact-Diagonalization DMFT solver and related libraries)
https://github.com/aamaricci

Software (Non-equilibrium software and related libraries)
M. Schüler, D. Golež, Y. Murakami, N. Bittner, A. Hermann, H. U. R. Strand, P. Werner, M. Eckstein, arXiv:1911.01211