Regensburg 2016 – wissenschaftliches Programm
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HL: Fachverband Halbleiterphysik
HL 29: Hybrid and Perovskite Photovoltaics II (Joint session of CPP, DS and HL, organized by CPP)
HL 29.7: Vortrag
Dienstag, 8. März 2016, 12:30–12:45, H37
A model Hamiltonian for perovskite solar cells — •Martin Schlipf, Marina R. Filip, Miguel A. Pérez-Osorio, and Feliciano Giustino — Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH, United Kingdom
Hybrid organic-inorganic halide perovskites emerge as one of most promising materials for new solar cells based on their high energy-conversion efficiency. The most commonly investigated materials include a large spin-orbit coupling, which may give rise to Rashba and Dresselhaus effects and makes them suitable for spintronic applications. In this contribution, we develop a simple model Hamiltonian that allows to study the impact of the spin-orbit coupling on the band structure. In particular, we focus on the physics near the bottom of the conduction band. Using group-theoretical considerations, we can reduce the number of parameters that the model exhibits. We apply this model to the prototype material MAPbI3 (MA = CH3NH3) and show how different parameters of the model can be obtained from first-principles density functional theory (DFT) calculations. We discuss how the model can assist in designing improved perovskite solar cells.