Microscopic calculation of the optical properties and intrinsic losses in the methylammonium lead iodide perovskite system

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For opto-electronic and photo-voltaic applications of perovskites, it is essential to know the optical properties and intrinsic losses of the used materials. A systematic microscopic analysis is presented for the example of methylammonium lead iodide where density functional theory is applied to calculate the electronic band structure as well as the dipole and Coulomb matrix elements. These results serve as input for a many-body quantum approach used to compute the absorption, photoluminescence, and the optical and Auger losses for a wide range of application conditions. To illustrate the theory, the excitonic properties of the material system are investigated and numerical results are presented for typical photo-voltaic operation conditions and for the elevated carrier densities needed for laser operation.

Original languageEnglish (US)
Article number011107
JournalAPL Materials
Issue number1
Publication statusPublished - Jan 1 2019


ASJC Scopus subject areas

  • Materials Science(all)
  • Engineering(all)

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