Microscopic calculation of the optical properties and intrinsic losses in the methylammonium lead iodide perovskite system
Abstract
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.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Jan 01, 2019
- Source ID
- 10.1063/1.5078791
Entities
People
- J. Hader
- Jerome V. Moloney
- Lars C. Bannow
- Stephan W. Koch
Organizations
- Air Force Office of Scientific Research
- German Research Foundation
- University of Arizona
- University of Marburg