Surface Electronic Structure of Hybrid Organo Lead Bromide Perovskite Single Crystals

Abstract

The electronic structure and band dispersion of methylammonium lead bromide, CH3NH3PbBr3, has been investigated through a combination of angle-resolved photoemission spectroscopy (ARPES) and inverse photoemission spectroscopy (IPES), as well as theoretical modeling based on density functional theory. The experimental band structures are consistent with the density functional calculations. The results demonstrate the presence of a dispersive valence band in MAPbBr3 that peaks at the M̅ point of the surface Brillouin zone. The results also indicate that the surface termination of the CH3NH3PbBr3 is the methylammonium bromide (CH3NH3Br) layer. We find our results support models that predict a heavier hole effective mass in the region of −0.23 to −0.26 me, along the Γ̅ (surface Brillouin center) to M̅ point of the surface Brillouin zone. The surface appears to be n-type as a result of an excess of lead in the surface region.